5-oxidanyl-6-phenyl-6-phenylsulfanyl-hexanoic acid

Systemtic Name: 5-oxidanyl-6-phenyl-6-phenylsulfanyl-hexanoic acid Openeye Name: 5-hydroxy-6-phenyl-6-phenylsulfanyl-hexanoic acid CAS Name: 5-hydroxy-6-phenyl-6-(phenylthio)hexanoic acid IUPAC Name: 5-hydroxy-6-phenyl-6-phenylsulfanylhexanoic acid Traditional Name: 5-hydroxy-6-phenyl-6-(phenylthio)hexanoic acid Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O3S/c19-16(12-7-13-17(20)21)18(14-8-3-1-4-9-14)22-15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2,(H,20,21)