calcium 2-oxidanylidene-2-[2-[4-[2-(phenylsulfonyl)ethyl]phenyl]hydrazinyl]ethanoate

Systemtic Name: calcium 2-oxidanylidene-2-[2-[4-[2-(phenylsulfonyl)ethyl]phenyl]hydrazinyl]ethanoate Openeye Name: calcium 2-[2-[4-[2-(benzenesulfonyl)ethyl]phenyl]hydrazino]-2-oxo-acetate CAS Name: calcium 2-[[4-[2-(benzenesulfonyl)ethyl]phenyl]hydrazo]-2-oxoacetate IUPAC Name: calcium 2-[2-[4-[2-(benzenesulfonyl)ethyl]phenyl]hydrazinyl]-2-oxoacetate Traditional Name: calcium 2-[N'-[4-(2-besylethyl)phenyl]hydrazino]-2-keto-acetate Formula: C32H30CaN4O10S2 MolecularWeight: 734.8094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC2=CC=C(C=C2)NNC(=O)C(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)CCC2=CC=C(C=C2)NNC(=O)C(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC2=CC=C(C=C2)NNC(=O)C(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)CCC2=CC=C(C=C2)NNC(=O)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C16H16N2O5S.Ca/c2*19-15(16(20)21)18-17-13-8-6-12(7-9-13)10-11-24(22,23)14-4-2-1-3-5-14;/h2*1-9,17H,10-11H2,(H,18,19)(H,20,21);/q;;+2/p-2