(2S,3R)-2-methyl-3-[(3-methylphenyl)methyl]butanedioate

Systemtic Name: (2S,3R)-2-methyl-3-[(3-methylphenyl)methyl]butanedioate Openeye Name: (2S,3R)-2-methyl-3-(m-tolylmethyl)butanedioate CAS Name: (2S,3R)-2-methyl-3-[(3-methylphenyl)methyl]butanedioate IUPAC Name: (2S,3R)-2-methyl-3-[(3-methylphenyl)methyl]butanedioate Traditional Name: (2S,3R)-2-methyl-3-(3-methylbenzyl)succinate Formula: C13H14O4-2 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C(C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[C@H]([C@H](C)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H16O4/c1-8-4-3-5-10(6-8)7-11(13(16)17)9(2)12(14)15/h3-6,9,11H,7H2,1-2H3,(H,14,15)(H,16,17)/p-2/t9-,11+/m0/s1