(3R)-2,3-bis(oxidanyl)butanedioate; methyl-(1-oxidanyl-1-phenyl-propan-2-yl)azanium

Systemtic Name: (3R)-2,3-bis(oxidanyl)butanedioate; methyl-(1-oxidanyl-1-phenyl-propan-2-yl)azanium Openeye Name: (3R)-2,3-dihydroxybutanedioate; (2-hydroxy-1-methyl-2-phenyl-ethyl)-methyl-ammonium CAS Name: (3R)-2,3-dihydroxybutanedioate; (1-hydroxy-1-phenylpropan-2-yl)-methylammonium IUPAC Name: (3R)-2,3-dihydroxybutanedioate; (1-hydroxy-1-phenylpropan-2-yl)-methylazanium Traditional Name: (3R)-2,3-dihydroxysuccinate; (2-hydroxy-1-methyl-2-phenyl-ethyl)-methyl-ammonium Formula: C24H36N2O8 MolecularWeight: 480.55124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH2+]C.CC(C(C1=CC=CC=C1)O)[NH2+]C.C(C(C(=O)[O-])O)(C(=O)[O-])O

Isomeric SMILES

CC(C(C1=CC=CC=C1)O)[NH2+]C.CC(C(C1=CC=CC=C1)O)[NH2+]C.[C@@H](C(C(=O)[O-])O)(C(=O)[O-])O

InChI

InChI=1S/2C10H15NO.C4H6O6/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;5-1(3(7)8)2(6)4(9)10/h2*3-8,10-12H,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2?/m..1/s1