methyl 3-[1-(2-dodecylphenyl)-2-methoxy-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-(2-dodecylphenyl)-2-methoxy-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[1-(2-dodecylphenyl)-2-methoxy-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[1-(2-dodecylphenyl)-2-methoxy-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(2-dodecylphenyl)-2-methoxy-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-1-(2-laurylphenyl)-2-methoxy-ethyl]thio]propionic acid methyl ester Formula: C25H40O4S MolecularWeight: 436.6477

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)OC)SCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)OC)SCCC(=O)OC

InChI

InChI=1S/C25H40O4S/c1-4-5-6-7-8-9-10-11-12-13-16-21-17-14-15-18-22(21)24(25(27)29-3)30-20-19-23(26)28-2/h14-15,17-18,24H,4-13,16,19-20H2,1-3H3