4-[(4-phenoxyphenyl)-sulfanyl-methyl]benzoic acid

Systemtic Name: 4-[(4-phenoxyphenyl)-sulfanyl-methyl]benzoic acid Openeye Name: 4-[(4-phenoxyphenyl)-sulfanyl-methyl]benzoic acid CAS Name: 4-[mercapto-(4-phenoxyphenyl)methyl]benzoic acid IUPAC Name: 4-[(4-phenoxyphenyl)-sulfanylmethyl]benzoic acid Traditional Name: 4-[mercapto-(4-phenoxyphenyl)methyl]benzoic acid Formula: C20H16O3S MolecularWeight: 336.40424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)O)S

InChI

InChI=1S/C20H16O3S/c21-20(22)16-8-6-14(7-9-16)19(24)15-10-12-18(13-11-15)23-17-4-2-1-3-5-17/h1-13,19,24H,(H,21,22)