[3-[(4-phenylazanylphenyl)amino]phenyl] octane-1-sulfonate

Systemtic Name: [3-[(4-phenylazanylphenyl)amino]phenyl] octane-1-sulfonate Openeye Name: [3-(4-anilinoanilino)phenyl] octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: [3-(4-anilinoanilino)phenyl] octane-1-sulfonate Traditional Name: octane-1-sulfonic acid [3-(4-anilinoanilino)phenyl] ester Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1=CC=CC(=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1=CC=CC(=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O3S/c1-2-3-4-5-6-10-20-32(29,30)31-26-15-11-14-25(21-26)28-24-18-16-23(17-19-24)27-22-12-8-7-9-13-22/h7-9,11-19,21,27-28H,2-6,10,20H2,1H3