methyl 4-[1-[(Z)-4-oxidanylbut-2-enyl]-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]but-2-ynoate

Systemtic Name: methyl 4-[1-[(Z)-4-oxidanylbut-2-enyl]-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]but-2-ynoate Openeye Name: methyl 4-[1-[(Z)-4-hydroxybut-2-enyl]-4-oxo-cyclohexa-2,5-dien-1-yl]but-2-ynoate CAS Name: 4-[1-[(Z)-4-hydroxybut-2-enyl]-4-oxo-1-cyclohexa-2,5-dienyl]-2-butynoic acid methyl ester IUPAC Name: methyl 4-[1-[(Z)-4-hydroxybut-2-enyl]-4-oxocyclohexa-2,5-dien-1-yl]but-2-ynoate Traditional Name: 4-[1-[(Z)-4-hydroxybut-2-enyl]-4-keto-cyclohexa-2,5-dien-1-yl]but-2-ynoic acid methyl ester Formula: C15H16O4 MolecularWeight: 260.28514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCC1(C=CC(=O)C=C1)CC=CCO

Isomeric SMILES

COC(=O)C#CCC1(C=CC(=O)C=C1)C/C=C\CO

InChI

InChI=1S/C15H16O4/c1-19-14(18)5-4-9-15(8-2-3-12-16)10-6-13(17)7-11-15/h2-3,6-7,10-11,16H,8-9,12H2,1H3/b3-2-