2-methoxy-2-phenylsulfanyl-heptanoic acid

Systemtic Name: 2-methoxy-2-phenylsulfanyl-heptanoic acid Openeye Name: 2-methoxy-2-phenylsulfanyl-heptanoic acid CAS Name: 2-methoxy-2-(phenylthio)heptanoic acid IUPAC Name: 2-methoxy-2-phenylsulfanylheptanoic acid Traditional Name: 2-methoxy-2-(phenylthio)enanthic acid Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)O)(OC)SC1=CC=CC=C1

Isomeric SMILES

CCCCCC(C(=O)O)(OC)SC1=CC=CC=C1

InChI

InChI=1S/C14H20O3S/c1-3-4-8-11-14(17-2,13(15)16)18-12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,15,16)