2-[4-[(4-phenylphenyl)amino]phenyl]sulfanyloctanoic acid

Systemtic Name: 2-[4-[(4-phenylphenyl)amino]phenyl]sulfanyloctanoic acid Openeye Name: 2-[4-(4-phenylanilino)phenyl]sulfanyloctanoic acid CAS Name: 2-[[4-(4-phenylanilino)phenyl]thio]octanoic acid IUPAC Name: 2-[4-(4-phenylanilino)phenyl]sulfanyloctanoic acid Traditional Name: 2-[[4-(4-phenylanilino)phenyl]thio]caprylic acid Formula: C26H29NO2S MolecularWeight: 419.57896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)NC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)NC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H29NO2S/c1-2-3-4-8-11-25(26(28)29)30-24-18-16-23(17-19-24)27-22-14-12-21(13-15-22)20-9-6-5-7-10-20/h5-7,9-10,12-19,25,27H,2-4,8,11H2,1H3,(H,28,29)