2-[(3,5-dimethylphenyl)methyl]butanedioic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)methyl]butanedioic acid Openeye Name: 2-[(3,5-dimethylphenyl)methyl]butanedioic acid CAS Name: 2-[(3,5-dimethylphenyl)methyl]butanedioic acid IUPAC Name: 2-[(3,5-dimethylphenyl)methyl]butanedioic acid Traditional Name: 2-(3,5-dimethylbenzyl)succinic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-8-3-9(2)5-10(4-8)6-11(13(16)17)7-12(14)15/h3-5,11H,6-7H2,1-2H3,(H,14,15)(H,16,17)