(2R,3R)-2,3-bis[(4-methylphenyl)carbonyloxy]butanedioic acid hydrate

Systemtic Name: (2R,3R)-2,3-bis[(4-methylphenyl)carbonyloxy]butanedioic acid hydrate Openeye Name: (2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid hydrate CAS Name: (2R,3R)-2,3-bis[(4-methylphenyl)-oxomethoxy]butanedioic acid hydrate IUPAC Name: (2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid hydrate Traditional Name: (2R,3R)-2,3-bis(p-toluoyloxy)succinic acid hydrate Formula: C20H20O9 MolecularWeight: 404.3674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18O8.H2O/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);1H2/t15-,16-;/m1./s1