methyl 3-[(4-methoxyphenyl)sulfanylmethyl]-6-phenyl-hexanoate

Systemtic Name: methyl 3-[(4-methoxyphenyl)sulfanylmethyl]-6-phenyl-hexanoate Openeye Name: methyl 3-[(4-methoxyphenyl)sulfanylmethyl]-6-phenyl-hexanoate CAS Name: 3-[[(4-methoxyphenyl)thio]methyl]-6-phenylhexanoic acid methyl ester IUPAC Name: methyl 3-[(4-methoxyphenyl)sulfanylmethyl]-6-phenylhexanoate Traditional Name: 3-[[(4-methoxyphenyl)thio]methyl]-6-phenyl-hexanoic acid methyl ester Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(CCCC2=CC=CC=C2)CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCC(CCCC2=CC=CC=C2)CC(=O)OC

InChI

InChI=1S/C21H26O3S/c1-23-19-11-13-20(14-12-19)25-16-18(15-21(22)24-2)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-14,18H,6,9-10,15-16H2,1-2H3