3-oxidanyl-7-(phenylmethylsulfanyl)heptanoic acid

Systemtic Name: 3-oxidanyl-7-(phenylmethylsulfanyl)heptanoic acid Openeye Name: 7-benzylsulfanyl-3-hydroxy-heptanoic acid CAS Name: 3-hydroxy-7-(phenylmethylthio)heptanoic acid IUPAC Name: 7-benzylsulfanyl-3-hydroxyheptanoic acid Traditional Name: 7-(benzylthio)-3-hydroxy-enanthic acid Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCCC(CC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCCCC(CC(=O)O)O

InChI

InChI=1S/C14H20O3S/c15-13(10-14(16)17)8-4-5-9-18-11-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17)