methyl 2-[(3-oxidanylidene-2,5,6,7-tetrahydro-1H-s-indacen-2-yl)methyl]benzoate

Systemtic Name: methyl 2-[(3-oxidanylidene-2,5,6,7-tetrahydro-1H-s-indacen-2-yl)methyl]benzoate Openeye Name: methyl 2-[(3-oxo-2,5,6,7-tetrahydro-1H-s-indacen-2-yl)methyl]benzoate CAS Name: 2-[(3-oxo-2,5,6,7-tetrahydro-1H-s-indacen-2-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-oxo-2,5,6,7-tetrahydro-1H-s-indacen-2-yl)methyl]benzoate Traditional Name: 2-[(3-keto-2,5,6,7-tetrahydro-1H-s-indacen-2-yl)methyl]benzoic acid methyl ester Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CC2CC3=CC4=C(CCC4)C=C3C2=O

Isomeric SMILES

COC(=O)C1=CC=CC=C1CC2CC3=CC4=C(CCC4)C=C3C2=O

InChI

InChI=1S/C21H20O3/c1-24-21(23)18-8-3-2-5-15(18)10-17-11-16-9-13-6-4-7-14(13)12-19(16)20(17)22/h2-3,5,8-9,12,17H,4,6-7,10-11H2,1H3