2,3-bis[(4-methylphenyl)carbonyl]-2,3-bis(oxidanyl)butanedioic acid hydrate

Systemtic Name: 2,3-bis[(4-methylphenyl)carbonyl]-2,3-bis(oxidanyl)butanedioic acid hydrate Openeye Name: 2,3-dihydroxy-2,3-bis(4-methylbenzoyl)butanedioic acid hydrate CAS Name: 2,3-dihydroxy-2,3-bis[(4-methylphenyl)-oxomethyl]butanedioic acid hydrate IUPAC Name: 2,3-dihydroxy-2,3-bis(4-methylbenzoyl)butanedioic acid hydrate Traditional Name: 2,3-dihydroxy-2,3-bis(p-toluoyl)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)C(C(=O)O)(C(C(=O)C2=CC=C(C=C2)C)(C(=O)O)O)O.O

Isomeric SMILES

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

InChI

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