4-[[(6Z)-5-methyl-6-(4,7,7-trimethyl-2-oxidanylidene-3-bicyclo[2.2.1]heptanylidene)cyclohexa-1,3-dien-1-yl]methyl]benzoate

Systemtic Name: 4-[[(6Z)-5-methyl-6-(4,7,7-trimethyl-2-oxidanylidene-3-bicyclo[2.2.1]heptanylidene)cyclohexa-1,3-dien-1-yl]methyl]benzoate Openeye Name: 4-[[(6Z)-5-methyl-6-(1,7,7-trimethyl-3-oxo-norbornan-2-ylidene)cyclohexa-1,3-dien-1-yl]methyl]benzoate CAS Name: 4-[[(6Z)-5-methyl-6-(4,7,7-trimethyl-2-oxo-3-bicyclo[2.2.1]heptanylidene)-1-cyclohexa-1,3-dienyl]methyl]benzoate IUPAC Name: 4-[[(6Z)-5-methyl-6-(4,7,7-trimethyl-2-oxo-3-bicyclo[2.2.1]heptanylidene)cyclohexa-1,3-dien-1-yl]methyl]benzoate Traditional Name: 4-[[(6Z)-6-(3-keto-1,7,7-trimethyl-norbornan-2-ylidene)-5-methyl-cyclohexa-1,3-dien-1-yl]methyl]benzoate Formula: C25H27O3- MolecularWeight: 375.48008

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=C(C1=C2C(=O)C3CCC2(C3(C)C)C)CC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC\1C=CC=C(/C1=C/2\C(=O)C3CCC2(C3(C)C)C)CC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C25H28O3/c1-15-6-5-7-18(14-16-8-10-17(11-9-16)23(27)28)20(15)21-22(26)19-12-13-25(21,4)24(19,2)3/h5-11,15,19H,12-14H2,1-4H3,(H,27,28)/p-1/b21-20+