6-methoxy-2-[(4-methoxyphenyl)sulfanylmethyl]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-methoxy-2-[(4-methoxyphenyl)sulfanylmethyl]-6-oxidanylidene-hexanoic acid Openeye Name: 6-methoxy-2-[(4-methoxyphenyl)sulfanylmethyl]-6-oxo-hexanoic acid CAS Name: 6-methoxy-2-[[(4-methoxyphenyl)thio]methyl]-6-oxohexanoic acid IUPAC Name: 6-methoxy-2-[(4-methoxyphenyl)sulfanylmethyl]-6-oxohexanoic acid Traditional Name: 6-keto-6-methoxy-2-[[(4-methoxyphenyl)thio]methyl]hexanoic acid Formula: C15H20O5S MolecularWeight: 312.3813

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(CCCC(=O)OC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SCC(CCCC(=O)OC)C(=O)O

InChI

InChI=1S/C15H20O5S/c1-19-12-6-8-13(9-7-12)21-10-11(15(17)18)4-3-5-14(16)20-2/h6-9,11H,3-5,10H2,1-2H3,(H,17,18)