sodium 3-(3-bromanylpropoxycarbonyl)benzenesulfonate

Systemtic Name: sodium 3-(3-bromanylpropoxycarbonyl)benzenesulfonate Openeye Name: sodium 3-(3-bromopropoxycarbonyl)benzenesulfonate CAS Name: sodium 3-[3-bromopropoxy(oxo)methyl]benzenesulfonate IUPAC Name: sodium 3-(3-bromopropoxycarbonyl)benzenesulfonate Traditional Name: sodium 3-(3-bromopropoxycarbonyl)besylate Formula: C10H10BrNaO5S MolecularWeight: 345.14217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OCCCBr.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OCCCBr.[Na+]

InChI

InChI=1S/C10H11BrO5S.Na/c11-5-2-6-16-10(12)8-3-1-4-9(7-8)17(13,14)15;/h1,3-4,7H,2,5-6H2,(H,13,14,15);/q;+1/p-1