2-(4-methoxyphenyl)sulfanylheptanoic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfanylheptanoic acid Openeye Name: 2-(4-methoxyphenyl)sulfanylheptanoic acid CAS Name: 2-[(4-methoxyphenyl)thio]heptanoic acid IUPAC Name: 2-(4-methoxyphenyl)sulfanylheptanoic acid Traditional Name: 2-[(4-methoxyphenyl)thio]enanthic acid Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O3S/c1-3-4-5-6-13(14(15)16)18-12-9-7-11(17-2)8-10-12/h7-10,13H,3-6H2,1-2H3,(H,15,16)