3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxo-butanoate; diethyl-[2-[(8R,9R)-8-phenyl7,10-dioxabicyclo[4.4.0]deca-1,3,5-triene-9-carbonyl]oxyethyl]azanium

Molecular Formula: C27H33NO11


InChI: InChI=1/C21H25NO4.C6H8O7/c1-3-22(4-2)14-15-24-21(23)20-19(16-10-6-5-7-11-16)25-17-12-8-9-13-18(17)26-20;7-2-6(4(10)11,5(12)13)1-3(8)9/h5-13,19-20H,3-4,14-15H2,1-2H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/t19-,20+;/m0./s1/fC21H26NO4.C6H7O7/h22H;10,12H/q+1;-1

InChIKey: InChIKey=WKVNPSWPCGOITH-KXDVCKINDA
SMILES: CC[NH+](CC)CCOC(=O)C1C(OC2=CC=CC=C2O1)C3=CC=CC=C3.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O

Names:
    trans-2-(Diethylamino)ethyl 2,3-dihydro-3-phenyl-1,4-benzodioxin-2-carboxylate citrate
    trans-3-Phenyl-1,4-benzodioxan-2-carboxylic acid 2-(diethylamino)ethyl ester citrate
    1,4-Benzodioxan-2-carboxylic acid, 3-phenyl-, 2-(diethylamino)ethyl ester, citrate, (E)-
    1,4-BENZODIOXAN-2-CARBOXYLIC ACID, 3-PHENYL-, 2-(DIETHYLAMINO)ETHYL ESTER, CITRA
    3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxo-butanoate; diethyl-[2-[(8R,9R)-8-phenyl7,10-dioxabicyclo[4.4.0]deca-1,3,5-triene-9-carbonyl]oxyethyl]azanium
    80428-15-5

Registries:
    PubChem CID 54570
    PubChem ID 192125