sodium 3-[[ethyl-[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]amino]methyl]benzenesulfonate

Systemtic Name: sodium 3-[[ethyl-[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]amino]methyl]benzenesulfonate Openeye Name: sodium 3-[[N-ethyl-4-(4-phenylazophenyl)azo-anilino]methyl]benzenesulfonate CAS Name: sodium 3-[[N-ethyl-4-(4-phenyldiazenylphenyl)azoanilino]methyl]benzenesulfonate IUPAC Name: sodium 3-[[N-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]anilino]methyl]benzenesulfonate Traditional Name: sodium 3-[[N-ethyl-4-(4-phenylazophenyl)azo-anilino]methyl]besylate Formula: C27H24N5NaO3S MolecularWeight: 521.56593

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)N=NC3=CC=C(C=C3)N=NC4=CC=CC=C4.[Na+]

Isomeric SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)N=NC3=CC=C(C=C3)N=NC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C27H25N5O3S.Na/c1-2-32(20-21-7-6-10-27(19-21)36(33,34)35)26-17-15-25(16-18-26)31-30-24-13-11-23(12-14-24)29-28-22-8-4-3-5-9-22;/h3-19H,2,20H2,1H3,(H,33,34,35);/q;+1/p-1