2-[(4,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-2-yl)methyl]benzoic acid

Systemtic Name: 2-[(4,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-2-yl)methyl]benzoic acid Openeye Name: 2-[(4,7-dimethyl-1-oxo-indan-2-yl)methyl]benzoic acid CAS Name: 2-[(4,7-dimethyl-3-oxo-1,2-dihydroinden-2-yl)methyl]benzoic acid IUPAC Name: 2-[(4,7-dimethyl-3-oxo-1,2-dihydroinden-2-yl)methyl]benzoic acid Traditional Name: 2-[(1-keto-4,7-dimethyl-indan-2-yl)methyl]benzoic acid Formula: C19H18O3 MolecularWeight: 294.34442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(C(=O)C2=C(C=C1)C)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C2CC(C(=O)C2=C(C=C1)C)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H18O3/c1-11-7-8-12(2)17-16(11)10-14(18(17)20)9-13-5-3-4-6-15(13)19(21)22/h3-8,14H,9-10H2,1-2H3,(H,21,22)