4-(2-carboxyoxycarbonyl-5-oxidanylidene-pyrazolidin-1-yl)benzenesulfonic acid

Systemtic Name: 4-(2-carboxyoxycarbonyl-5-oxidanylidene-pyrazolidin-1-yl)benzenesulfonic acid Openeye Name: 4-(2-carboxyoxycarbonyl-5-oxo-pyrazolidin-1-yl)benzenesulfonic acid CAS Name: 4-[2-[carboxyoxy(oxo)methyl]-5-oxo-1-pyrazolidinyl]benzenesulfonic acid IUPAC Name: 4-(2-carboxyoxycarbonyl-5-oxopyrazolidin-1-yl)benzenesulfonic acid Traditional Name: 4-(2-carboxyoxycarbonyl-5-keto-pyrazolidin-1-yl)besylic acid Formula: C11H10N2O8S MolecularWeight: 330.2707

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)OC(=O)O

Isomeric SMILES

C1CN(N(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)OC(=O)O

InChI

InChI=1S/C11H10N2O8S/c14-9-5-6-12(10(15)21-11(16)17)13(9)7-1-3-8(4-2-7)22(18,19)20/h1-4H,5-6H2,(H,16,17)(H,18,19,20)