2-[(5-methoxy-3-oxidanylidene-1,2-dihydroinden-2-yl)methyl]benzoic acid

Systemtic Name: 2-[(5-methoxy-3-oxidanylidene-1,2-dihydroinden-2-yl)methyl]benzoic acid Openeye Name: 2-[(6-methoxy-1-oxo-indan-2-yl)methyl]benzoic acid CAS Name: 2-[(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]benzoic acid IUPAC Name: 2-[(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]benzoic acid Traditional Name: 2-[(1-keto-6-methoxy-indan-2-yl)methyl]benzoic acid Formula: C18H16O4 MolecularWeight: 296.31724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC(C2=O)CC3=CC=CC=C3C(=O)O)C=C1

Isomeric SMILES

COC1=CC2=C(CC(C2=O)CC3=CC=CC=C3C(=O)O)C=C1

InChI

InChI=1S/C18H16O4/c1-22-14-7-6-12-9-13(17(19)16(12)10-14)8-11-4-2-3-5-15(11)18(20)21/h2-7,10,13H,8-9H2,1H3,(H,20,21)