S-[(E)-12-(5,6-dimethoxy-3-methyl-4-oxidanylidene-pyran-2-yl)-10-methyl-dodec-10-enyl] ethanethioate

Systemtic Name: S-[(E)-12-(5,6-dimethoxy-3-methyl-4-oxidanylidene-pyran-2-yl)-10-methyl-dodec-10-enyl] ethanethioate Openeye Name: S-[(E)-12-(5,6-dimethoxy-3-methyl-4-oxo-pyran-2-yl)-10-methyl-dodec-10-enyl] ethanethioate CAS Name: ethanethioic acid S-[(E)-12-(5,6-dimethoxy-3-methyl-4-oxo-2-pyranyl)-10-methyldodec-10-enyl] ester IUPAC Name: S-[(E)-12-(5,6-dimethoxy-3-methyl-4-oxopyran-2-yl)-10-methyldodec-10-enyl] ethanethioate Traditional Name: ethanethioic acid S-[(E)-12-(4-keto-5,6-dimethoxy-3-methyl-pyran-2-yl)-10-methyl-dodec-10-enyl] ester Formula: C23H36O5S MolecularWeight: 424.59394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C(C1=O)OC)OC)CC=C(C)CCCCCCCCCSC(=O)C

Isomeric SMILES

CC1=C(OC(=C(C1=O)OC)OC)C/C=C(\C)/CCCCCCCCCSC(=O)C

InChI

InChI=1S/C23H36O5S/c1-17(13-11-9-7-6-8-10-12-16-29-19(3)24)14-15-20-18(2)21(25)22(26-4)23(27-5)28-20/h14H,6-13,15-16H2,1-5H3/b17-14+