disodium; 8-acetamido-1-[(5-methylsulfonyl-2-oxidanidyl-phenyl)diazenyl]naphthalen-2-olate; chromium(3+); 5-nitro-2-oxidanidyl-3-[(2-oxidanidylnaphthalen-1-yl)diazenyl]benzenesulfonate

Systemtic Name: disodium; 8-acetamido-1-[(5-methylsulfonyl-2-oxidanidyl-phenyl)diazenyl]naphthalen-2-olate; chromium(3+); 5-nitro-2-oxidanidyl-3-[(2-oxidanidylnaphthalen-1-yl)diazenyl]benzenesulfonate Openeye Name: chromic; disodium; 8-acetamido-1-(5-methylsulfonyl-2-oxido-phenyl)azo-naphthalen-2-olate; 5-nitro-2-oxido-3-[(2-oxido-1-naphthyl)azo]benzenesulfonate CAS Name: disodium; 8-acetamido-1-(5-methylsulfonyl-2-oxidophenyl)azo-2-naphthalenolate; chromium(3+); 5-nitro-2-oxido-3-[(2-oxido-1-naphthalenyl)azo]benzenesulfonate IUPAC Name: disodium; 8-acetamido-1-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]naphthalen-2-olate; chromium(3+); 5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate Traditional Name: chromic; disodium; 8-acetamido-1-(5-mesyl-2-oxido-phenyl)azo-naphthalen-2-olate; 5-nitro-2-oxido-3-[(2-oxido-1-naphthyl)azo]besylate Formula: C35H23CrN6Na2O12S2 MolecularWeight: 881.69576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)C)[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC(=CC(=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].[Na+].[Na+].[Cr+3]

Isomeric SMILES

CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)C)[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC(=CC(=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].[Na+].[Na+].[Cr+3]

InChI

InChI=1S/C19H17N3O5S.C16H11N3O7S.Cr.2Na/c1-11(23)20-14-5-3-4-12-6-8-17(25)19(18(12)14)22-21-15-10-13(28(2,26)27)7-9-16(15)24;20-13-6-5-9-3-1-2-4-11(9)15(13)18-17-12-7-10(19(22)23)8-14(16(12)21)27(24,25)26;;;/h3-10,24-25H,1-2H3,(H,20,23);1-8,20-21H,(H,24,25,26);;;/q;;+3;2*+1/p-5