(2R,3R)-2,3-bis(oxidanyl)butanedioate; 3-(2-hydroxyphenyl)propylazanium

Systemtic Name: (2R,3R)-2,3-bis(oxidanyl)butanedioate; 3-(2-hydroxyphenyl)propylazanium Openeye Name: (2R,3R)-2,3-dihydroxybutanedioate; 3-(2-hydroxyphenyl)propylammonium CAS Name: (2R,3R)-2,3-dihydroxybutanedioate; 3-(2-hydroxyphenyl)propylammonium IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioate; 3-(2-hydroxyphenyl)propylazanium Traditional Name: (2R,3R)-2,3-dihydroxysuccinate; 3-(2-hydroxyphenyl)propylammonium Formula: C22H32N2O8 MolecularWeight: 452.49808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC[NH3+])O.C1=CC=C(C(=C1)CCC[NH3+])O.C(C(C(=O)[O-])O)(C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C(=C1)CCC[NH3+])O.C1=CC=C(C(=C1)CCC[NH3+])O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O

InChI

InChI=1S/2C9H13NO.C4H6O6/c2*10-7-3-5-8-4-1-2-6-9(8)11;5-1(3(7)8)2(6)4(9)10/h2*1-2,4,6,11H,3,5,7,10H2;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1