3-[[ethyl-[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[ethyl-[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]amino]methyl]benzenesulfonic acid Openeye Name: 3-[[N-ethyl-4-(4-phenylazophenyl)azo-anilino]methyl]benzenesulfonic acid CAS Name: 3-[[N-ethyl-4-(4-phenyldiazenylphenyl)azoanilino]methyl]benzenesulfonic acid IUPAC Name: 3-[[N-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]anilino]methyl]benzenesulfonic acid Traditional Name: 3-[[N-ethyl-4-(4-phenylazophenyl)azo-anilino]methyl]besylic acid Formula: C27H25N5O3S MolecularWeight: 499.5841

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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

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

InChI

InChI=1S/C27H25N5O3S/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)