[2-[(E)-3-oxidanylideneprop-1-enyl]phenyl] 4-methylbenzoate

Systemtic Name: [2-[(E)-3-oxidanylideneprop-1-enyl]phenyl] 4-methylbenzoate Openeye Name: [2-[(E)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[(E)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[(E)-3-ketoprop-1-enyl]phenyl] ester Formula: C17H14O3 MolecularWeight: 266.29126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=CC=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2/C=C/C=O

InChI

InChI=1S/C17H14O3/c1-13-8-10-15(11-9-13)17(19)20-16-7-3-2-5-14(16)6-4-12-18/h2-12H,1H3/b6-4+