Acid Yellow 99 CAS NO.10343-58-5

 CAS register number of Acid Yellow 99 is 10343-58-5. It also can be called as Sodium hydroxy[2-hydroxy-5-nitro-3-[[2-oxo-1-(phenylcarbamoyl)propyl]azo]benzenesulphonato(3-)]chromate(1-) and the IUPAC name about this chemical is sodium; chromium(3+); (2Z)-2-[(5-nitro-2-oxido-3-sulfonatophenyl)hydrazinylidene]-3-oxo-N-phenylbutanimidate; hydroxide. The molecular formula about this chemical is C₁₆H₁₂CrN₄NaO₉S and the molecular weight is 511.34. It belongs to the following product categories, such as Dyes and Pigments; Organometallics; A; Stains and Dyes; Stains&Dyes, A to and so on. When you are using it, please avoid contact with skin and eyes.

Physical properties about Acid Yellow 99 are: (1)#H bond acceptors: 13; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 203.91Ų; (5)H-Bond Donor: 2; (6)H-Bond Acceptor: 12; (7)Rotatable Bond Count: 5; (8)Tautomer Count: 7; (9)Exact Mass: 510.96278; (10)MonoIsotopic Mass: 510.96278; (11)Topological Polar Surface Area: 212; (12)Heavy Atom Count: 32; (13)Complexity: 766; (14)Defined Bond StereoCenter Count: 1; (15)Covalently-Bonded Unit Count: 4.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-][N+](=O)c2cc1/N=N/C(=C(/C)O[Cr](O)Oc1c(c2)S([O-])(=O)=O)C(=O)Nc3ccccc3
(2)InChI: InChI=1/C16H14N4O8S.Cr.Na.H2O/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;;;/h2-8,21-22H,1H3,(H,17,23)(H,26,27,28);;;1H2/q;+3;+1;/p-4/b14-9-,19-18+;;;/rC16H13CrN4O9S.Na/c1-9-14(16(22)18-10-5-3-2-4-6-10)20-19-12-7-11(21(24)25)8-13(31(26,27)28)15(12)30-17(23)29-9;/h2-8,23H,1H3,(H,18,22)(H,26,27,28);/q;+1/p-1/b14-9-,20-19+;
(3)InChIKey: XEAHZUQHDDJSJW-RHHAVJOMBV
(4)Std. InChI: InChI=1S/C16H14N4O8S.Cr.Na.H2O/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;;;/h2-8,21-22H,1H3,(H,17,23)(H,26,27,28);;;1H2/q;+3;+1;/p-4/b14

 CAS register number of Acid Yellow 99 is 10343-58-5. It also can be called as Sodium hydroxy[2-hydroxy-5-nitro-3-[[2-oxo-1-(phenylcarbamoyl)propyl]azo]benzenesulphonato(3-)]chromate(1-) and the IUPAC name about this chemical is sodium; chromium(3+); (2Z)-2-[(5-nitro-2-oxido-3-sulfonatophenyl)hydrazinylidene]-3-oxo-N-phenylbutanimidate; hydroxide. The molecular formula about this chemical is C₁₆H₁₂CrN₄NaO₉S and the molecular weight is 511.34. It belongs to the following product categories, such as Dyes and Pigments; Organometallics; A; Stains and Dyes; Stains&Dyes, A to and so on. When you are using it, please avoid contact with skin and eyes.

Physical properties about Acid Yellow 99 are: (1)#H bond acceptors: 13; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 203.91Ų; (5)H-Bond Donor: 2; (6)H-Bond Acceptor: 12; (7)Rotatable Bond Count: 5; (8)Tautomer Count: 7; (9)Exact Mass: 510.96278; (10)MonoIsotopic Mass: 510.96278; (11)Topological Polar Surface Area: 212; (12)Heavy Atom Count: 32; (13)Complexity: 766; (14)Defined Bond StereoCenter Count: 1; (15)Covalently-Bonded Unit Count: 4.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-][N+](=O)c2cc1/N=N/C(=C(/C)O[Cr](O)Oc1c(c2)S([O-])(=O)=O)C(=O)Nc3ccccc3
(2)InChI: InChI=1/C16H14N4O8S.Cr.Na.H2O/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;;;/h2-8,21-22H,1H3,(H,17,23)(H,26,27,28);;;1H2/q;+3;+1;/p-4/b14-9-,19-18+;;;/rC16H13CrN4O9S.Na/c1-9-14(16(22)18-10-5-3-2-4-6-10)20-19-12-7-11(21(24)25)8-13(31(26,27)28)15(12)30-17(23)29-9;/h2-8,23H,1H3,(H,18,22)(H,26,27,28);/q;+1/p-1/b14-9-,20-19+;
(3)InChIKey: XEAHZUQHDDJSJW-RHHAVJOMBV
(4)Std. InChI: InChI=1S/C16H14N4O8S.Cr.Na.H2O/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;;;/h2-8,21-22H,1H3,(H,17,23)(H,26,27,28);;;1H2/q;+3;+1;/p-4/b14