4-(aziridin-1-yloxy)-3-carboxy-benzenesulfonate; oxygen(2-); vanadium(4+)

Systemtic Name: 4-(aziridin-1-yloxy)-3-carboxy-benzenesulfonate; oxygen(2-); vanadium(4+) Openeye Name: 4-(aziridin-1-yloxy)-3-carboxy-benzenesulfonate; oxygen(2-); vanadium(4+) CAS Name: 4-(1-aziridinyloxy)-3-carboxybenzenesulfonate; oxygen(2-); vanadium(4+) IUPAC Name: 4-(aziridin-1-yloxy)-3-carboxybenzenesulfonate; oxygen(2-); vanadium(4+) Traditional Name: 3-carboxy-4-ethyleniminooxy-besylate; oxygen(2-); vanadium(4+) Formula: C18H16N2O13S2V MolecularWeight: 583.39674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1OC2=C(C=C(C=C2)S(=O)(=O)[O-])C(=O)O.C1CN1OC2=C(C=C(C=C2)S(=O)(=O)[O-])C(=O)O.[O-2].[V+4]

Isomeric SMILES

C1CN1OC2=C(C=C(C=C2)S(=O)(=O)[O-])C(=O)O.C1CN1OC2=C(C=C(C=C2)S(=O)(=O)[O-])C(=O)O.[O-2].[V+4]

InChI

InChI=1S/2C9H9NO6S.O.V/c2*11-9(12)7-5-6(17(13,14)15)1-2-8(7)16-10-3-4-10;;/h2*1-2,5H,3-4H2,(H,11,12)(H,13,14,15);;/q;;-2;+4/p-2