7-(4-methoxyphenyl)-2-sulfanyl-heptanoic acid

Systemtic Name: 7-(4-methoxyphenyl)-2-sulfanyl-heptanoic acid Openeye Name: 7-(4-methoxyphenyl)-2-sulfanyl-heptanoic acid CAS Name: 2-mercapto-7-(4-methoxyphenyl)heptanoic acid IUPAC Name: 7-(4-methoxyphenyl)-2-sulfanylheptanoic acid Traditional Name: 2-mercapto-7-(4-methoxyphenyl)enanthic acid Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCCC(C(=O)O)S

Isomeric SMILES

COC1=CC=C(C=C1)CCCCCC(C(=O)O)S

InChI

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