5-[3-oxidanyl-3-oxidanylidene-2-(phenylmethyl)propyl]-2,3-dihydro-1H-indene-4-carboxylic acid

Systemtic Name: 5-[3-oxidanyl-3-oxidanylidene-2-(phenylmethyl)propyl]-2,3-dihydro-1H-indene-4-carboxylic acid Openeye Name: 5-(2-benzyl-3-hydroxy-3-oxo-propyl)indane-4-carboxylic acid CAS Name: 5-[3-hydroxy-3-oxo-2-(phenylmethyl)propyl]-2,3-dihydro-1H-indene-4-carboxylic acid IUPAC Name: 5-(2-benzyl-3-hydroxy-3-oxopropyl)-2,3-dihydro-1H-indene-4-carboxylic acid Traditional Name: 5-(2-benzyl-3-hydroxy-3-keto-propyl)indane-4-carboxylic acid Formula: C20H20O4 MolecularWeight: 324.3704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C(=C(C=C2)CC(CC3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CC2=C(C1)C(=C(C=C2)CC(CC3=CC=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H20O4/c21-19(22)16(11-13-5-2-1-3-6-13)12-15-10-9-14-7-4-8-17(14)18(15)20(23)24/h1-3,5-6,9-10,16H,4,7-8,11-12H2,(H,21,22)(H,23,24)