(2R,3S)-2-[(3,5-dimethylphenyl)methyl]-3-methyl-butanedioate

Systemtic Name: (2R,3S)-2-[(3,5-dimethylphenyl)methyl]-3-methyl-butanedioate Openeye Name: (2R,3S)-2-[(3,5-dimethylphenyl)methyl]-3-methyl-butanedioate CAS Name: (2R,3S)-2-[(3,5-dimethylphenyl)methyl]-3-methylbutanedioate IUPAC Name: (2R,3S)-2-[(3,5-dimethylphenyl)methyl]-3-methylbutanedioate Traditional Name: (2R,3S)-2-(3,5-dimethylbenzyl)-3-methyl-succinate Formula: C14H16O4-2 MolecularWeight: 248.27444

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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)C[C@H]([C@H](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)/p-2/t10-,12+/m0/s1