(3R)-2,3-bis(oxidanyl)butanedioate; 3-[(E)-2-(1-methyl-5H-pyrimidine-1,3-diium-2-yl)ethenyl]phenol

Systemtic Name: (3R)-2,3-bis(oxidanyl)butanedioate; 3-[(E)-2-(1-methyl-5H-pyrimidine-1,3-diium-2-yl)ethenyl]phenol Openeye Name: (3R)-2,3-dihydroxybutanedioate; 3-[(E)-2-(1-methyl-5H-pyrimidine-1,3-diium-2-yl)vinyl]phenol CAS Name: (3R)-2,3-dihydroxybutanedioate; 3-[(E)-2-(1-methyl-5H-pyrimidine-1,3-diium-2-yl)ethenyl]phenol IUPAC Name: (3R)-2,3-dihydroxybutanedioate; 3-[(E)-2-(1-methyl-5H-pyrimidine-1,3-diium-2-yl)ethenyl]phenol Traditional Name: (3R)-2,3-dihydroxysuccinate; 3-[(E)-2-(1-methyl-5H-pyrimidine-1,3-diium-2-yl)vinyl]phenol Formula: C17H18N2O7 MolecularWeight: 362.33402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CCC=[N+]=C1C=CC2=CC(=CC=C2)O.C(C(C(=O)[O-])O)(C(=O)[O-])O

Isomeric SMILES

C[N+]1=CCC=[N+]=C1/C=C/C2=CC(=CC=C2)O.[C@@H](C(C(=O)[O-])O)(C(=O)[O-])O

InChI

InChI=1S/C13H13N2O.C4H6O6/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11;5-1(3(7)8)2(6)4(9)10/h2,4-10H,3H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1/b7-6+;/t;1-,2?/m.1/s1