2-[(1-oxidanylidene-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoic acid

Systemtic Name: 2-[(1-oxidanylidene-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoic acid Openeye Name: 2-[(1-oxo-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoic acid CAS Name: 2-[(1-oxo-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoic acid IUPAC Name: 2-[(1-oxo-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoic acid Traditional Name: 2-[(1-keto-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoic acid Formula: C20H18O3 MolecularWeight: 306.35512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C3=C(CC(C3=O)CC4=CC=CC=C4C(=O)O)C=C2

Isomeric SMILES

C1CC2=C(C1)C3=C(CC(C3=O)CC4=CC=CC=C4C(=O)O)C=C2

InChI

InChI=1S/C20H18O3/c21-19-15(10-13-4-1-2-6-17(13)20(22)23)11-14-9-8-12-5-3-7-16(12)18(14)19/h1-2,4,6,8-9,15H,3,5,7,10-11H2,(H,22,23)