2-[(E)-3-(4-methylphenyl)prop-2-enoyl]-7-oxidanylidene-cyclohepta-1,3,5-trien-1-olate

Systemtic Name: 2-[(E)-3-(4-methylphenyl)prop-2-enoyl]-7-oxidanylidene-cyclohepta-1,3,5-trien-1-olate Openeye Name: 7-oxo-2-[(E)-3-(p-tolyl)prop-2-enoyl]cyclohepta-1,3,5-trien-1-olate CAS Name: 2-[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]-7-oxo-1-cyclohepta-1,3,5-trienolate IUPAC Name: 2-[(E)-3-(4-methylphenyl)prop-2-enoyl]-7-oxocyclohepta-1,3,5-trien-1-olate Traditional Name: 7-keto-2-[(E)-3-(p-tolyl)acryloyl]cyclohepta-1,3,5-trien-1-olate Formula: C17H13O3- MolecularWeight: 265.28332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)C2=C(C(=O)C=CC=C2)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)C=CC=C2)[O-]

InChI

InChI=1S/C17H14O3/c1-12-6-8-13(9-7-12)10-11-15(18)14-4-2-3-5-16(19)17(14)20/h2-11H,1H3,(H,19,20)/p-1/b11-10+