7-phenyl-3-(phenylmethylsulfanyl)heptanoic acid

Systemtic Name: 7-phenyl-3-(phenylmethylsulfanyl)heptanoic acid Openeye Name: 3-benzylsulfanyl-7-phenyl-heptanoic acid CAS Name: 7-phenyl-3-(phenylmethylthio)heptanoic acid IUPAC Name: 3-benzylsulfanyl-7-phenylheptanoic acid Traditional Name: 3-(benzylthio)-7-phenyl-enanthic acid Formula: C20H24O2S MolecularWeight: 328.46836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(CC(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(CC(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C20H24O2S/c21-20(22)15-19(23-16-18-12-5-2-6-13-18)14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,21,22)