disodium 5-[[4-[(2-chloranyl-5-sulfonato-phenyl)diazenyl]naphthalen-1-yl]diazenyl]-8-phenylazanyl-naphthalene-1-sulfonate

Systemtic Name: disodium 5-[[4-[(2-chloranyl-5-sulfonato-phenyl)diazenyl]naphthalen-1-yl]diazenyl]-8-phenylazanyl-naphthalene-1-sulfonate Openeye Name: disodium 8-anilino-5-[[4-(2-chloro-5-sulfonato-phenyl)azo-1-naphthyl]azo]naphthalene-1-sulfonate CAS Name: disodium 8-anilino-5-[[4-(2-chloro-5-sulfonatophenyl)azo-1-naphthalenyl]azo]-1-naphthalenesulfonate IUPAC Name: disodium 8-anilino-5-[[4-[(2-chloro-5-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate Traditional Name: disodium 8-anilino-5-[[4-(2-chloro-5-sulfonato-phenyl)azo-1-naphthyl]azo]naphthalene-1-sulfonate Formula: C32H20ClN5Na2O6S2 MolecularWeight: 716.09364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=C(C=CC(=C6)S(=O)(=O)[O-])Cl)C=CC=C3S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=C(C=CC(=C6)S(=O)(=O)[O-])Cl)C=CC=C3S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C32H22ClN5O6S2.2Na/c33-25-14-13-21(45(39,40)41)19-30(25)38-36-27-16-15-26(22-9-4-5-10-23(22)27)35-37-28-17-18-29(34-20-7-2-1-3-8-20)32-24(28)11-6-12-31(32)46(42,43)44;;/h1-19,34H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2