disodium 4-azanyl-3-[[3-[3-[(1-azanyl-4-sulfonato-naphthalen-2-yl)diazenyl]phenyl]sulfonylphenyl]diazenyl]naphthalene-1-sulfonate

Systemtic Name: disodium 4-azanyl-3-[[3-[3-[(1-azanyl-4-sulfonato-naphthalen-2-yl)diazenyl]phenyl]sulfonylphenyl]diazenyl]naphthalene-1-sulfonate Openeye Name: disodium 4-amino-3-[3-[3-[(1-amino-4-sulfonato-2-naphthyl)azo]phenyl]sulfonylphenyl]azo-naphthalene-1-sulfonate CAS Name: disodium 4-amino-3-[3-[3-[(1-amino-4-sulfonato-2-naphthalenyl)azo]phenyl]sulfonylphenyl]azo-1-naphthalenesulfonate IUPAC Name: disodium 4-amino-3-[[3-[3-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]sulfonylphenyl]diazenyl]naphthalene-1-sulfonate Traditional Name: disodium 4-amino-3-[3-[3-[(1-amino-4-sulfonato-2-naphthyl)azo]phenyl]sulfonylphenyl]azo-naphthalene-1-sulfonate Formula: C32H22N6Na2O8S3 MolecularWeight: 760.72702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC(=CC=C3)S(=O)(=O)C4=CC=CC(=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC(=CC=C3)S(=O)(=O)C4=CC=CC(=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C32H24N6O8S3.2Na/c33-31-25-13-3-1-11-23(25)29(48(41,42)43)17-27(31)37-35-19-7-5-9-21(15-19)47(39,40)22-10-6-8-20(16-22)36-38-28-18-30(49(44,45)46)24-12-2-4-14-26(24)32(28)34;;/h1-18H,33-34H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2