S-ethyl (2E,6E)-8-methoxycarbonyloxyocta-2,6-dienethioate

Systemtic Name: S-ethyl (2E,6E)-8-methoxycarbonyloxyocta-2,6-dienethioate Openeye Name: S-ethyl (2E,6E)-8-methoxycarbonyloxyocta-2,6-dienethioate CAS Name: (2E,6E)-8-methoxycarbonyloxyocta-2,6-dienethioic acid S-ethyl ester IUPAC Name: S-ethyl (2E,6E)-8-methoxycarbonyloxyocta-2,6-dienethioate Traditional Name: (2E,6E)-8-carbomethoxyoxyocta-2,6-dienethioic acid S-ethyl ester Formula: C12H18O4S MolecularWeight: 258.33392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C=CCCC=CCOC(=O)OC

Isomeric SMILES

CCSC(=O)/C=C/CC/C=C/COC(=O)OC

InChI

InChI=1S/C12H18O4S/c1-3-17-11(13)9-7-5-4-6-8-10-16-12(14)15-2/h6-9H,3-5,10H2,1-2H3/b8-6+,9-7+