3-[[4-[ethyl-(phenylmethyl)amino]phenyl]diazenyl]-4-(4-methylphenyl)sulfonyl-benzenesulfonic acid

Systemtic Name: 3-[[4-[ethyl-(phenylmethyl)amino]phenyl]diazenyl]-4-(4-methylphenyl)sulfonyl-benzenesulfonic acid Openeye Name: 3-[4-[benzyl(ethyl)amino]phenyl]azo-4-(p-tolylsulfonyl)benzenesulfonic acid CAS Name: 3-[4-[ethyl-(phenylmethyl)amino]phenyl]azo-4-(4-methylphenyl)sulfonylbenzenesulfonic acid IUPAC Name: 3-[[4-[benzyl(ethyl)amino]phenyl]diazenyl]-4-(4-methylphenyl)sulfonylbenzenesulfonic acid Traditional Name: 3-[4-[benzyl(ethyl)amino]phenyl]azo-4-tosyl-besylic acid Formula: C28H27N3O5S2 MolecularWeight: 549.66108

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H27N3O5S2/c1-3-31(20-22-7-5-4-6-8-22)24-13-11-23(12-14-24)29-30-27-19-26(38(34,35)36)17-18-28(27)37(32,33)25-15-9-21(2)10-16-25/h4-19H,3,20H2,1-2H3,(H,34,35,36)