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

Systemtic Name: disodium 4-isocyanato-3-[[4-[4-[(1-isocyanato-4-sulfonato-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate Openeye Name: disodium 4-isocyanato-3-[4-[4-[(1-isocyanato-4-sulfonato-2-naphthyl)azo]phenyl]phenyl]azo-naphthalene-1-sulfonate CAS Name: disodium 4-isocyanato-3-[4-[4-[(1-isocyanato-4-sulfonato-2-naphthalenyl)azo]phenyl]phenyl]azo-1-naphthalenesulfonate IUPAC Name: disodium 4-isocyanato-3-[[4-[4-[(1-isocyanato-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate Traditional Name: disodium 4-isocyanato-3-[4-[4-[(1-isocyanato-4-sulfonato-2-naphthyl)azo]phenyl]phenyl]azo-naphthalene-1-sulfonate Formula: C34H18N6Na2O8S2 MolecularWeight: 748.65166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H20N6O8S2.2Na/c41-19-35-33-27-7-3-1-5-25(27)31(49(43,44)45)17-29(33)39-37-23-13-9-21(10-14-23)22-11-15-24(16-12-22)38-40-30-18-32(50(46,47)48)26-6-2-4-8-28(26)34(30)36-20-42;;/h1-18H,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2