4-[2-methyl-5-(phenylmethyl)phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[2-methyl-5-(phenylmethyl)phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-(5-benzyl-2-methyl-phenyl)-2,4-dioxo-butanoic acid CAS Name: 4-[2-methyl-5-(phenylmethyl)phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-(5-benzyl-2-methylphenyl)-2,4-dioxobutanoic acid Traditional Name: 4-(5-benzyl-2-methyl-phenyl)-2,4-diketo-butyric acid Formula: C18H16O4 MolecularWeight: 296.31724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=CC=CC=C2)C(=O)CC(=O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=CC=CC=C2)C(=O)CC(=O)C(=O)O

InChI

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