2-(2-azaniumyl-3-phenyl-propoxy)carbonylbenzenesulfonate

Systemtic Name: 2-(2-azaniumyl-3-phenyl-propoxy)carbonylbenzenesulfonate Openeye Name: 2-(2-azaniumyl-3-phenyl-propoxy)carbonylbenzenesulfonate CAS Name: 2-[(2-ammonio-3-phenylpropoxy)-oxomethyl]benzenesulfonate IUPAC Name: 2-(2-azaniumyl-3-phenylpropoxy)carbonylbenzenesulfonate Traditional Name: 2-(2-ammonio-3-phenyl-propoxy)carbonylbesylate Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(COC(=O)C2=CC=CC=C2S(=O)(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CC(COC(=O)C2=CC=CC=C2S(=O)(=O)[O-])[NH3+]

InChI

InChI=1S/C16H17NO5S/c17-13(10-12-6-2-1-3-7-12)11-22-16(18)14-8-4-5-9-15(14)23(19,20)21/h1-9,13H,10-11,17H2,(H,19,20,21)