calcium 4-(2-formamido-5-oxidanyl-phenyl)-2-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: calcium 4-(2-formamido-5-oxidanyl-phenyl)-2-oxidanyl-4-oxidanylidene-butanoate Openeye Name: calcium 4-(2-formamido-5-hydroxy-phenyl)-2-hydroxy-4-oxo-butanoate CAS Name: calcium 4-(2-formamido-5-hydroxyphenyl)-2-hydroxy-4-oxobutanoate IUPAC Name: calcium 4-(2-formamido-5-hydroxyphenyl)-2-hydroxy-4-oxobutanoate Traditional Name: calcium 4-(2-formamido-5-hydroxy-phenyl)-2-hydroxy-4-keto-butyrate Formula: C22H20CaN2O12 MolecularWeight: 544.4784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)C(=O)CC(C(=O)[O-])O)NC=O.C1=CC(=C(C=C1O)C(=O)CC(C(=O)[O-])O)NC=O.[Ca+2]

Isomeric SMILES

C1=CC(=C(C=C1O)C(=O)CC(C(=O)[O-])O)NC=O.C1=CC(=C(C=C1O)C(=O)CC(C(=O)[O-])O)NC=O.[Ca+2]

InChI

InChI=1S/2C11H11NO6.Ca/c2*13-5-12-8-2-1-6(14)3-7(8)9(15)4-10(16)11(17)18;/h2*1-3,5,10,14,16H,4H2,(H,12,13)(H,17,18);/q;;+2/p-2