zinc 2-azanyl-3-(3-methylphenyl)sulfonyloxycarbonyl-benzoate

Systemtic Name: zinc 2-azanyl-3-(3-methylphenyl)sulfonyloxycarbonyl-benzoate Openeye Name: zinc 2-amino-3-(m-tolylsulfonyloxycarbonyl)benzoate CAS Name: zinc 2-amino-3-[(3-methylphenyl)sulfonyloxy-oxomethyl]benzoate IUPAC Name: zinc 2-amino-3-(3-methylphenyl)sulfonyloxycarbonylbenzoate Traditional Name: zinc 2-amino-3-(m-tolylsulfonyloxycarbonyl)benzoate Formula: C30H24N2O12S2Zn MolecularWeight: 734.05676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OC(=O)C2=CC=CC(=C2N)C(=O)[O-].CC1=CC(=CC=C1)S(=O)(=O)OC(=O)C2=CC=CC(=C2N)C(=O)[O-].[Zn+2]

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OC(=O)C2=CC=CC(=C2N)C(=O)[O-].CC1=CC(=CC=C1)S(=O)(=O)OC(=O)C2=CC=CC(=C2N)C(=O)[O-].[Zn+2]

InChI

InChI=1S/2C15H13NO6S.Zn/c2*1-9-4-2-5-10(8-9)23(20,21)22-15(19)12-7-3-6-11(13(12)16)14(17)18;/h2*2-8H,16H2,1H3,(H,17,18);/q;;+2/p-2