methyl 2-[(E)-(1-oxidanylidene-3,6,7,8-tetrahydro-as-indacen-2-ylidene)methyl]benzoate

Systemtic Name: methyl 2-[(E)-(1-oxidanylidene-3,6,7,8-tetrahydro-as-indacen-2-ylidene)methyl]benzoate Openeye Name: methyl 2-[(E)-(1-oxo-3,6,7,8-tetrahydro-as-indacen-2-ylidene)methyl]benzoate CAS Name: 2-[(E)-(1-oxo-3,6,7,8-tetrahydro-as-indacen-2-ylidene)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-(1-oxo-3,6,7,8-tetrahydro-as-indacen-2-ylidene)methyl]benzoate Traditional Name: 2-[(E)-(1-keto-3,6,7,8-tetrahydro-as-indacen-2-ylidene)methyl]benzoic acid methyl ester Formula: C21H18O3 MolecularWeight: 318.36582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C=C2CC3=C(C2=O)C4=C(CCC4)C=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1/C=C/2\CC3=C(C2=O)C4=C(CCC4)C=C3

InChI

InChI=1S/C21H18O3/c1-24-21(23)18-7-3-2-5-14(18)11-16-12-15-10-9-13-6-4-8-17(13)19(15)20(16)22/h2-3,5,7,9-11H,4,6,8,12H2,1H3/b16-11+