methyl (E)-7-[2-[(3E)-5-oxidanylidenepenta-1,3-dien-3-yl]phenyl]hept-2-en-6-ynoate

Systemtic Name: methyl (E)-7-[2-[(3E)-5-oxidanylidenepenta-1,3-dien-3-yl]phenyl]hept-2-en-6-ynoate Openeye Name: methyl (E)-7-[2-[(E)-3-oxo-1-vinyl-prop-1-enyl]phenyl]hept-2-en-6-ynoate CAS Name: (E)-7-[2-[(3E)-5-oxopenta-1,3-dien-3-yl]phenyl]hept-2-en-6-ynoic acid methyl ester IUPAC Name: methyl (E)-7-[2-[(3E)-5-oxopenta-1,3-dien-3-yl]phenyl]hept-2-en-6-ynoate Traditional Name: (E)-7-[2-[(E)-3-keto-1-vinyl-prop-1-enyl]phenyl]hept-2-en-6-ynoic acid methyl ester Formula: C19H18O3 MolecularWeight: 294.34442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCC#CC1=CC=CC=C1C(=CC=O)C=C

Isomeric SMILES

COC(=O)/C=C/CCC#CC1=CC=CC=C1/C(=C/C=O)/C=C

InChI

InChI=1S/C19H18O3/c1-3-16(14-15-20)18-12-9-8-11-17(18)10-6-4-5-7-13-19(21)22-2/h3,7-9,11-15H,1,4-5H2,2H3/b13-7+,16-14+