2-[2-(4-carboxyphenyl)propan-2-yl]butanedioic acid

Systemtic Name: 2-[2-(4-carboxyphenyl)propan-2-yl]butanedioic acid Openeye Name: 2-[1-(4-carboxyphenyl)-1-methyl-ethyl]butanedioic acid CAS Name: 2-[2-(4-carboxyphenyl)propan-2-yl]butanedioic acid IUPAC Name: 2-[2-(4-carboxyphenyl)propan-2-yl]butanedioic acid Traditional Name: 2-[1-(4-carboxyphenyl)-1-methyl-ethyl]succinic acid Formula: C14H16O6 MolecularWeight: 280.27324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C(=O)O)C(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C(=O)O)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H16O6/c1-14(2,10(13(19)20)7-11(15)16)9-5-3-8(4-6-9)12(17)18/h3-6,10H,7H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)