(2S,3S)-2-(4-methylphenyl)carbonyloxy-3-oxidanyl-butanedioic acid

Systemtic Name: (2S,3S)-2-(4-methylphenyl)carbonyloxy-3-oxidanyl-butanedioic acid Openeye Name: (2S,3S)-2-hydroxy-3-(4-methylbenzoyl)oxy-butanedioic acid CAS Name: (2S,3S)-2-hydroxy-3-[(4-methylphenyl)-oxomethoxy]butanedioic acid IUPAC Name: (2S,3S)-2-hydroxy-3-(4-methylbenzoyl)oxybutanedioic acid Traditional Name: (2S,3S)-2-hydroxy-3-p-toluoyloxy-succinic acid Formula: C12H12O7 MolecularWeight: 268.21948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O7/c1-6-2-4-7(5-3-6)12(18)19-9(11(16)17)8(13)10(14)15/h2-5,8-9,13H,1H3,(H,14,15)(H,16,17)/t8-,9-/m0/s1