thian-3-yl (2Z,4E)-11-methoxy-3,7,11-trimethyl-dodeca-2,4-dienoate

Systemtic Name: thian-3-yl (2Z,4E)-11-methoxy-3,7,11-trimethyl-dodeca-2,4-dienoate Openeye Name: tetrahydrothiopyran-3-yl (2Z,4E)-11-methoxy-3,7,11-trimethyl-dodeca-2,4-dienoate CAS Name: (2Z,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid 3-thianyl ester IUPAC Name: thian-3-yl (2Z,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate Traditional Name: (2Z,4E)-11-methoxy-3,7,11-trimethyl-dodeca-2,4-dienoic acid tetrahydrothiopyran-3-yl ester Formula: C21H36O3S MolecularWeight: 368.57374

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)OC)CC=CC(=CC(=O)OC1CCCSC1)C

Isomeric SMILES

CC(CCCC(C)(C)OC)C/C=C/C(=C\C(=O)OC1CCCSC1)/C

InChI

InChI=1S/C21H36O3S/c1-17(11-7-13-21(3,4)23-5)9-6-10-18(2)15-20(22)24-19-12-8-14-25-16-19/h6,10,15,17,19H,7-9,11-14,16H2,1-5H3/b10-6+,18-15-