7-phenyl-2-phenylsulfanyl-heptanoic acid

Systemtic Name: 7-phenyl-2-phenylsulfanyl-heptanoic acid Openeye Name: 7-phenyl-2-phenylsulfanyl-heptanoic acid CAS Name: 7-phenyl-2-(phenylthio)heptanoic acid IUPAC Name: 7-phenyl-2-phenylsulfanylheptanoic acid Traditional Name: 7-phenyl-2-(phenylthio)enanthic acid Formula: C19H22O2S MolecularWeight: 314.44178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCC(C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCCCC(C(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C19H22O2S/c20-19(21)18(22-17-13-7-3-8-14-17)15-9-2-6-12-16-10-4-1-5-11-16/h1,3-5,7-8,10-11,13-14,18H,2,6,9,12,15H2,(H,20,21)