ethyl (3E,5Z)-5-butylsulfanyl-6-ethoxy-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoate

Systemtic Name: ethyl (3E,5Z)-5-butylsulfanyl-6-ethoxy-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoate Openeye Name: ethyl (3E,5Z)-5-butylsulfanyl-6-ethoxy-6-hydroxy-2-oxo-hexa-3,5-dienoate CAS Name: (3E,5Z)-5-(butylthio)-6-ethoxy-6-hydroxy-2-oxohexa-3,5-dienoic acid ethyl ester IUPAC Name: ethyl (3E,5Z)-5-butylsulfanyl-6-ethoxy-6-hydroxy-2-oxohexa-3,5-dienoate Traditional Name: (3E,5Z)-5-(butylthio)-6-ethoxy-6-hydroxy-2-keto-hexa-3,5-dienoic acid ethyl ester Formula: C14H22O5S MolecularWeight: 302.38648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=C(O)OCC)C=CC(=O)C(=O)OCC

Isomeric SMILES

CCCCS/C(=C(/O)\OCC)/C=C/C(=O)C(=O)OCC

InChI

InChI=1S/C14H22O5S/c1-4-7-10-20-12(14(17)19-6-3)9-8-11(15)13(16)18-5-2/h8-9,17H,4-7,10H2,1-3H3/b9-8+,14-12-