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

Systemtic Name: sodium; 8-acetamido-1-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]naphthalen-2-olate; chromium(3+) Openeye Name: chromic sodium 8-acetamido-1-(2-oxido-5-sulfamoyl-phenyl)azo-naphthalen-2-olate CAS Name: sodium; 8-acetamido-1-(2-oxido-5-sulfamoylphenyl)azo-2-naphthalenolate; chromium(3+) IUPAC Name: sodium; 8-acetamido-1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate; chromium(3+) Traditional Name: chromic sodium 8-acetamido-1-(2-oxido-5-sulfamoyl-phenyl)azo-naphthalen-2-olate Formula: C36H28CrN8NaO10S2 MolecularWeight: 871.77099

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

InChI

InChI=1S/2C18H16N4O5S.Cr.Na/c2*1-10(23)20-13-4-2-3-11-5-7-16(25)18(17(11)13)22-21-14-9-12(28(19,26)27)6-8-15(14)24;;/h2*2-9,24-25H,1H3,(H,20,23)(H2,19,26,27);;/q;;+3;+1/p-4