sodium; 8-acetamido-1-[(5-methylsulfonyl-2-oxidanidyl-phenyl)diazenyl]naphthalen-2-olate; chromium(3+)

Systemtic Name: sodium; 8-acetamido-1-[(5-methylsulfonyl-2-oxidanidyl-phenyl)diazenyl]naphthalen-2-olate; chromium(3+) Openeye Name: chromic sodium 8-acetamido-1-(5-methylsulfonyl-2-oxido-phenyl)azo-naphthalen-2-olate CAS Name: sodium; 8-acetamido-1-(5-methylsulfonyl-2-oxidophenyl)azo-2-naphthalenolate; chromium(3+) IUPAC Name: sodium; 8-acetamido-1-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]naphthalen-2-olate; chromium(3+) Traditional Name: chromic sodium 8-acetamido-1-(5-mesyl-2-oxido-phenyl)azo-naphthalen-2-olate Formula: C38H30CrN6NaO10S2 MolecularWeight: 869.79487

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

InChI

InChI=1S/2C19H17N3O5S.Cr.Na/c2*1-11(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;;/h2*3-10,24-25H,1-2H3,(H,20,23);;/q;;+3;+1/p-4