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

Systemtic Name: 2-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-7-oxidanylidene-cyclohepta-1,3,5-trien-1-olate Openeye Name: 2-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-7-oxo-cyclohepta-1,3,5-trien-1-olate CAS Name: 2-[(E)-3-(4-ethylphenyl)-1-oxoprop-2-enyl]-7-oxo-1-cyclohepta-1,3,5-trienolate IUPAC Name: 2-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-7-oxocyclohepta-1,3,5-trien-1-olate Traditional Name: 2-[(E)-3-(4-ethylphenyl)acryloyl]-7-keto-cyclohepta-1,3,5-trien-1-olate Formula: C18H15O3- MolecularWeight: 279.3099

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC(=O)C2=C(C(=O)C=CC=C2)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)C=CC=C2)[O-]

InChI

InChI=1S/C18H16O3/c1-2-13-7-9-14(10-8-13)11-12-16(19)15-5-3-4-6-17(20)18(15)21/h3-12H,2H2,1H3,(H,20,21)/p-1/b12-11+