ethyl 3-(4-methoxyphenyl)-3-oxidanyl-7-sulfanyl-heptanoate

Systemtic Name: ethyl 3-(4-methoxyphenyl)-3-oxidanyl-7-sulfanyl-heptanoate Openeye Name: ethyl 3-hydroxy-3-(4-methoxyphenyl)-7-sulfanyl-heptanoate CAS Name: 3-hydroxy-7-mercapto-3-(4-methoxyphenyl)heptanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-3-(4-methoxyphenyl)-7-sulfanylheptanoate Traditional Name: 3-hydroxy-7-mercapto-3-(4-methoxyphenyl)enanthic acid ethyl ester Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCCCS)(C1=CC=C(C=C1)OC)O

Isomeric SMILES

CCOC(=O)CC(CCCCS)(C1=CC=C(C=C1)OC)O

InChI

InChI=1S/C16H24O4S/c1-3-20-15(17)12-16(18,10-4-5-11-21)13-6-8-14(19-2)9-7-13/h6-9,18,21H,3-5,10-12H2,1-2H3