2,3-dimethoxy-5-methyl-6-[(E)-3-methyl-12-sulfanyl-dodec-2-enyl]pyran-4-one

Systemtic Name: 2,3-dimethoxy-5-methyl-6-[(E)-3-methyl-12-sulfanyl-dodec-2-enyl]pyran-4-one Openeye Name: 2,3-dimethoxy-5-methyl-6-[(E)-3-methyl-12-sulfanyl-dodec-2-enyl]pyran-4-one CAS Name: 2-[(E)-12-mercapto-3-methyldodec-2-enyl]-5,6-dimethoxy-3-methyl-4-pyranone IUPAC Name: 2,3-dimethoxy-5-methyl-6-[(E)-3-methyl-12-sulfanyldodec-2-enyl]pyran-4-one Traditional Name: 2-[(E)-12-mercapto-3-methyl-dodec-2-enyl]-5,6-dimethoxy-3-methyl-pyran-4-one Formula: C21H34O4S MolecularWeight: 382.55726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O4S/c1-16(12-10-8-6-5-7-9-11-15-26)13-14-18-17(2)19(22)20(23-3)21(24-4)25-18/h13,26H,5-12,14-15H2,1-4H3/b16-13+