dimethyl 2-[(1Z,3E)-1-ethylsulfanylocta-1,3-dien-2-yl]-2-[(E)-3-oxidanylnon-4-enyl]propanedioate

Systemtic Name: dimethyl 2-[(1Z,3E)-1-ethylsulfanylocta-1,3-dien-2-yl]-2-[(E)-3-oxidanylnon-4-enyl]propanedioate Openeye Name: dimethyl 2-[(E,1Z)-1-(ethylsulfanylmethylene)hept-2-enyl]-2-[(E)-3-hydroxynon-4-enyl]propanedioate CAS Name: 2-[(1Z,3E)-1-(ethylthio)octa-1,3-dien-2-yl]-2-[(E)-3-hydroxynon-4-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1Z,3E)-1-ethylsulfanylocta-1,3-dien-2-yl]-2-[(E)-3-hydroxynon-4-enyl]propanedioate Traditional Name: 2-[(E,1Z)-1-[(ethylthio)methylene]hept-2-enyl]-2-[(E)-3-hydroxynon-4-enyl]malonic acid dimethyl ester Formula: C24H40O5S MolecularWeight: 440.6364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(CCC(C(=CSCC)C=CCCCC)(C(=O)OC)C(=O)OC)O

Isomeric SMILES

CCCC/C=C/C(CCC(/C(=C\SCC)/C=C/CCCC)(C(=O)OC)C(=O)OC)O

InChI

InChI=1S/C24H40O5S/c1-6-9-11-13-15-20(19-30-8-3)24(22(26)28-4,23(27)29-5)18-17-21(25)16-14-12-10-7-2/h13-16,19,21,25H,6-12,17-18H2,1-5H3/b15-13+,16-14+,20-19-