8-acetamido-1-[(4-acetamido-5-nitro-2-oxidanidyl-phenyl)diazenyl]naphthalen-2-olate; chromium(3+); hydron

Systemtic Name: 8-acetamido-1-[(4-acetamido-5-nitro-2-oxidanidyl-phenyl)diazenyl]naphthalen-2-olate; chromium(3+); hydron Openeye Name: chromic; 8-acetamido-1-(4-acetamido-5-nitro-2-oxido-phenyl)azo-naphthalen-2-olate; hydron CAS Name: 8-acetamido-1-(4-acetamido-5-nitro-2-oxidophenyl)azo-2-naphthalenolate; chromium(3+); hydron IUPAC Name: 8-acetamido-1-[(4-acetamido-5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate; chromium(3+); hydron Traditional Name: chromic; 8-acetamido-1-(4-acetamido-5-nitro-2-oxido-phenyl)azo-naphthalen-2-olate; hydron Formula: C40H31CrN10O12 MolecularWeight: 895.73004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C20H17N5O6.Cr/c2*1-10(26)21-13-5-3-4-12-6-7-17(28)20(19(12)13)24-23-15-8-16(25(30)31)14(9-18(15)29)22-11(2)27;/h2*3-9,28-29H,1-2H3,(H,21,26)(H,22,27);/q;;+3/p-3