methyl 3-[(Z)-1-methoxy-1-oxidanyl-3-oxidanylidene-octadec-1-en-4-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[(Z)-1-methoxy-1-oxidanyl-3-oxidanylidene-octadec-1-en-4-yl]sulfanylpropanoate Openeye Name: methyl 3-[1-[(Z)-3-hydroxy-3-methoxy-prop-2-enoyl]pentadecylsulfanyl]propanoate CAS Name: 3-[[(Z)-1-hydroxy-1-methoxy-3-oxooctadec-1-en-4-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(Z)-1-hydroxy-1-methoxy-3-oxooctadec-1-en-4-yl]sulfanylpropanoate Traditional Name: 3-[[(Z)-4-hydroxy-2-keto-4-methoxy-1-myristyl-but-3-enyl]thio]propionic acid methyl ester Formula: C23H42O5S MolecularWeight: 430.64158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(=O)C=C(O)OC)SCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCC(C(=O)/C=C(/O)\OC)SCCC(=O)OC

InChI

InChI=1S/C23H42O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(20(24)19-23(26)28-3)29-18-17-22(25)27-2/h19,21,26H,4-18H2,1-3H3/b23-19-