(3E,5Z)-6-ethoxy-6-oxidanyl-2-oxidanylidene-5-phenethylsulfanyl-hexa-3,5-dienoic acid

Systemtic Name: (3E,5Z)-6-ethoxy-6-oxidanyl-2-oxidanylidene-5-phenethylsulfanyl-hexa-3,5-dienoic acid Openeye Name: (3E,5Z)-6-ethoxy-6-hydroxy-2-oxo-5-phenethylsulfanyl-hexa-3,5-dienoic acid CAS Name: (3E,5Z)-6-ethoxy-6-hydroxy-2-oxo-5-(phenethylthio)hexa-3,5-dienoic acid IUPAC Name: (3E,5Z)-6-ethoxy-6-hydroxy-2-oxo-5-phenethylsulfanylhexa-3,5-dienoic acid Traditional Name: (3E,5Z)-6-ethoxy-6-hydroxy-2-keto-5-(phenethylthio)hexa-3,5-dienoic acid Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C=CC(=O)C(=O)O)SCCC1=CC=CC=C1)O

Isomeric SMILES

CCO/C(=C(/C=C/C(=O)C(=O)O)\SCCC1=CC=CC=C1)/O

InChI

InChI=1S/C16H18O5S/c1-2-21-16(20)14(9-8-13(17)15(18)19)22-11-10-12-6-4-3-5-7-12/h3-9,20H,2,10-11H2,1H3,(H,18,19)/b9-8+,16-14-