strontium 3-carboxy-5-[(3-nitrophenyl)carbonylamino]benzenesulfonate octahydrate

Systemtic Name: strontium 3-carboxy-5-[(3-nitrophenyl)carbonylamino]benzenesulfonate octahydrate Openeye Name: strontium 3-carboxy-5-[(3-nitrobenzoyl)amino]benzenesulfonate octahydrate CAS Name: strontium 3-carboxy-5-[[(3-nitrophenyl)-oxomethyl]amino]benzenesulfonate octahydrate IUPAC Name: strontium 3-carboxy-5-[(3-nitrobenzoyl)amino]benzenesulfonate octahydrate Traditional Name: strontium 3-carboxy-5-[(3-nitrobenzoyl)amino]besylate octahydrate Formula: C28H34N4O24S2Sr MolecularWeight: 962.33196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC(=C2)C(=O)O)S(=O)(=O)[O-].C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC(=C2)C(=O)O)S(=O)(=O)[O-].O.O.O.O.O.O.O.O.[Sr+2]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC(=C2)C(=O)O)S(=O)(=O)[O-].C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC(=C2)C(=O)O)S(=O)(=O)[O-].O.O.O.O.O.O.O.O.[Sr+2]

InChI

InChI=1S/2C14H10N2O8S.8H2O.Sr/c2*17-13(8-2-1-3-11(5-8)16(20)21)15-10-4-9(14(18)19)6-12(7-10)25(22,23)24;;;;;;;;;/h2*1-7H,(H,15,17)(H,18,19)(H,22,23,24);8*1H2;/q;;;;;;;;;;+2/p-2