[4-[(4-dimethylaminophenyl)-phenyl-amino]phenyl] octane-1-sulfonate

Systemtic Name: [4-[(4-dimethylaminophenyl)-phenyl-amino]phenyl] octane-1-sulfonate Openeye Name: [4-(N-(4-dimethylaminophenyl)anilino)phenyl] octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: [4-(N-(4-dimethylaminophenyl)anilino)phenyl] octane-1-sulfonate Traditional Name: octane-1-sulfonic acid [4-(N-(4-dimethylaminophenyl)anilino)phenyl] ester Formula: C28H36N2O3S MolecularWeight: 480.66204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C28H36N2O3S/c1-4-5-6-7-8-12-23-34(31,32)33-28-21-19-27(20-22-28)30(25-13-10-9-11-14-25)26-17-15-24(16-18-26)29(2)3/h9-11,13-22H,4-8,12,23H2,1-3H3