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

Systemtic Name: 2-[(3,5-dimethylphenyl)methyl]-3-methyl-butanedioic acid Openeye Name: 2-[(3,5-dimethylphenyl)methyl]-3-methyl-butanedioic acid CAS Name: 2-[(3,5-dimethylphenyl)methyl]-3-methylbutanedioic acid IUPAC Name: 2-[(3,5-dimethylphenyl)methyl]-3-methylbutanedioic acid Traditional Name: 2-(3,5-dimethylbenzyl)-3-methyl-succinic acid Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4/c1-8-4-9(2)6-11(5-8)7-12(14(17)18)10(3)13(15)16/h4-6,10,12H,7H2,1-3H3,(H,15,16)(H,17,18)