3-(2-{4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazin-1-ylidene)-6-oxocyclohexa-1,4-diene-1-carboxylic acid dihydrate disodium

CAS: 150399-21-6

Formula: C17H19N3Na2O8

SMILES: O.O.[Na].[Na].OC(=O)CCNC(=O)C1=CC=C(NN=C2C=CC(=O)C(=C2)C(O)=O)C=C1

IUPAC: 3-(2-{4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazin-1-ylidene)-6-oxocyclohexa-1,4-diene-1-carboxylic acid dihydrate disodium

InChI: InChI=1S/C17H15N3O6.2Na.2H2O/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23;;;;/h1-6,9,19H,7-8H2,(H,18,24)(H,22,23)(H,25,26);;;2*1H2

Composition: C (46.48%), H (4.36%), N (9.56%), Na (10.47%), O (29.13%)

Molar Mass: 439.332

Atom Count: 49

Heavy Atom Count: 30