strontium 3-benzamido-5-carboxy-benzenesulfonate octahydrate

Systemtic Name: strontium 3-benzamido-5-carboxy-benzenesulfonate octahydrate Openeye Name: strontium 3-benzamido-5-carboxy-benzenesulfonate octahydrate CAS Name: strontium 3-benzamido-5-carboxybenzenesulfonate octahydrate IUPAC Name: strontium 3-benzamido-5-carboxybenzenesulfonate octahydrate Traditional Name: strontium 3-benzamido-5-carboxy-besylate octahydrate Formula: C28H36N2O20S2Sr MolecularWeight: 872.33684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)S(=O)(=O)[O-].C1=CC=C(C=C1)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=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)S(=O)(=O)[O-].C1=CC=C(C=C1)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/2C14H11NO6S.8H2O.Sr/c2*16-13(9-4-2-1-3-5-9)15-11-6-10(14(17)18)7-12(8-11)22(19,20)21;;;;;;;;;/h2*1-8H,(H,15,16)(H,17,18)(H,19,20,21);8*1H2;/q;;;;;;;;;;+2/p-2