4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzenesulfonate

Systemtic Name: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzenesulfonate Openeye Name: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylene)-3-methylene-5-oxo-pyrazolidin-1-yl]benzenesulfonate CAS Name: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methylene-5-oxo-1-pyrazolidinyl]benzenesulfonate IUPAC Name: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methylidene-5-oxopyrazolidin-1-yl]benzenesulfonate Traditional Name: 4-[(4Z)-5-keto-3-methylene-4-piperonylidene-pyrazolidin-1-yl]besylate Formula: C18H13N2O6S- MolecularWeight: 385.37062

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(=CC2=CC3=C(C=C2)OCO3)C(=O)N(N1)C4=CC=C(C=C4)S(=O)(=O)[O-]

Isomeric SMILES

C=C1/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)N(N1)C4=CC=C(C=C4)S(=O)(=O)[O-]

InChI

InChI=1S/C18H14N2O6S/c1-11-15(8-12-2-7-16-17(9-12)26-10-25-16)18(21)20(19-11)13-3-5-14(6-4-13)27(22,23)24/h2-9,19H,1,10H2,(H,22,23,24)/p-1/b15-8-