methyl 4-[(E)-2-(1,1-dimethyl-3-oxidanylidene-2H-inden-5-yl)ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(1,1-dimethyl-3-oxidanylidene-2H-inden-5-yl)ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-(1,1-dimethyl-3-oxo-indan-5-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(1,1-dimethyl-3-oxo-2H-inden-5-yl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(1,1-dimethyl-3-oxo-2H-inden-5-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(3-keto-1,1-dimethyl-indan-5-yl)vinyl]benzoic acid methyl ester Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C1C=CC(=C2)C=CC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1(CC(=O)C2=C1C=CC(=C2)/C=C/C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H20O3/c1-21(2)13-19(22)17-12-15(8-11-18(17)21)5-4-14-6-9-16(10-7-14)20(23)24-3/h4-12H,13H2,1-3H3/b5-4+