(2S,3S)-2,3-bis[(3-methylphenyl)carbonyloxy]butanedioic acid

Systemtic Name: (2S,3S)-2,3-bis[(3-methylphenyl)carbonyloxy]butanedioic acid Openeye Name: (2S,3S)-2,3-bis[(3-methylbenzoyl)oxy]butanedioic acid CAS Name: (2S,3S)-2,3-bis[(3-methylphenyl)-oxomethoxy]butanedioic acid IUPAC Name: (2S,3S)-2,3-bis[(3-methylbenzoyl)oxy]butanedioic acid Traditional Name: (2S,3S)-2,3-bis(m-toluoyloxy)succinic acid Formula: C20H18O8 MolecularWeight: 386.35212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC(=CC=C2)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC(=CC=C2)C)C(=O)O

InChI

InChI=1S/C20H18O8/c1-11-5-3-7-13(9-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-8-4-6-12(2)10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m0/s1