(E)-7-[6-(dimethoxymethyl)-5-ethanoylsulfanyl-cyclohexen-1-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[6-(dimethoxymethyl)-5-ethanoylsulfanyl-cyclohexen-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[5-acetylsulfanyl-6-(dimethoxymethyl)cyclohexen-1-yl]hept-5-enoic acid CAS Name: (E)-7-[5-(acetylthio)-6-(dimethoxymethyl)-1-cyclohexenyl]-5-heptenoic acid IUPAC Name: (E)-7-[5-acetylsulfanyl-6-(dimethoxymethyl)cyclohexen-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[5-(acetylthio)-6-(dimethoxymethyl)cyclohexen-1-yl]hept-5-enoic acid Formula: C18H28O5S MolecularWeight: 356.47692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCC=C(C1C(OC)OC)CC=CCCCC(=O)O

Isomeric SMILES

CC(=O)SC1CCC=C(C1C(OC)OC)C/C=C/CCCC(=O)O

InChI

InChI=1S/C18H28O5S/c1-13(19)24-15-11-8-10-14(17(15)18(22-2)23-3)9-6-4-5-7-12-16(20)21/h4,6,10,15,17-18H,5,7-9,11-12H2,1-3H3,(H,20,21)/b6-4+