3-[2-(phenylcarbonyloxy)ethylazaniumyl]propane-1-sulfonate

Systemtic Name: 3-[2-(phenylcarbonyloxy)ethylazaniumyl]propane-1-sulfonate Openeye Name: 3-(2-benzoyloxyethylammonio)propane-1-sulfonate CAS Name: 3-(2-benzoyloxyethylammonio)-1-propanesulfonate IUPAC Name: 3-(2-benzoyloxyethylazaniumyl)propane-1-sulfonate Traditional Name: 3-(2-benzoyloxyethylammonio)propane-1-sulfonate Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC[NH2+]CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC[NH2+]CCCS(=O)(=O)[O-]

InChI

InChI=1S/C12H17NO5S/c14-12(11-5-2-1-3-6-11)18-9-8-13-7-4-10-19(15,16)17/h1-3,5-6,13H,4,7-10H2,(H,15,16,17)