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

Systemtic Name: 2-[4-[(2-phenylphenyl)amino]phenyl]sulfanyloctanoic acid Openeye Name: 2-[4-(2-phenylanilino)phenyl]sulfanyloctanoic acid CAS Name: 2-[[4-(2-phenylanilino)phenyl]thio]octanoic acid IUPAC Name: 2-[4-(2-phenylanilino)phenyl]sulfanyloctanoic acid Traditional Name: 2-[[4-(2-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=CC=C2C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)NC2=CC=CC=C2C3=CC=CC=C3

InChI

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