3-methyl-3-phenyl-hexanedioic acid

Systemtic Name: 3-methyl-3-phenyl-hexanedioic acid Openeye Name: 3-methyl-3-phenyl-hexanedioic acid CAS Name: 3-methyl-3-phenylhexanedioic acid IUPAC Name: 3-methyl-3-phenylhexanedioic acid Traditional Name: 3-methyl-3-phenyl-adipic acid Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)(CC(=O)O)C1=CC=CC=C1

Isomeric SMILES

CC(CCC(=O)O)(CC(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C13H16O4/c1-13(9-12(16)17,8-7-11(14)15)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,15)(H,16,17)