4-[[2-(3H-inden-1-yl)-3-oxidanylidene-1H-inden-2-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-(3H-inden-1-yl)-3-oxidanylidene-1H-inden-2-yl]methyl]benzoic acid Openeye Name: 4-[[2-(3H-inden-1-yl)-1-oxo-indan-2-yl]methyl]benzoic acid CAS Name: 4-[[2-(3H-inden-1-yl)-3-oxo-1H-inden-2-yl]methyl]benzoic acid IUPAC Name: 4-[[2-(3H-inden-1-yl)-3-oxo-1H-inden-2-yl]methyl]benzoic acid Traditional Name: 4-[[2-(3H-inden-1-yl)-1-keto-indan-2-yl]methyl]benzoic acid Formula: C26H20O3 MolecularWeight: 380.4352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C2=CC=CC=C21)C3(CC4=CC=CC=C4C3=O)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1C=C(C2=CC=CC=C21)C3(CC4=CC=CC=C4C3=O)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C26H20O3/c27-24-22-8-4-2-6-20(22)16-26(24,15-17-9-11-19(12-10-17)25(28)29)23-14-13-18-5-1-3-7-21(18)23/h1-12,14H,13,15-16H2,(H,28,29)