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

Systemtic Name: 4-bromanyl-2-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-7-oxidanylidene-cyclohepta-1,3,5-trien-1-olate Openeye Name: 4-bromo-2-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-7-oxo-cyclohepta-1,3,5-trien-1-olate CAS Name: 4-bromo-2-[(E)-3-(3,4-dimethylphenyl)-1-oxoprop-2-enyl]-7-oxo-1-cyclohepta-1,3,5-trienolate IUPAC Name: 4-bromo-2-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-7-oxocyclohepta-1,3,5-trien-1-olate Traditional Name: 4-bromo-2-[(E)-3-(3,4-dimethylphenyl)acryloyl]-7-keto-cyclohepta-1,3,5-trien-1-olate Formula: C18H14BrO3- MolecularWeight: 358.20596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrO3/c1-11-3-4-13(9-12(11)2)5-7-16(20)15-10-14(19)6-8-17(21)18(15)22/h3-10H,1-2H3,(H,21,22)/p-1/b7-5+