4-oxidanyl-3-[3-(trimethylazaniumyl)propoxy]benzenesulfonate

Systemtic Name: 4-oxidanyl-3-[3-(trimethylazaniumyl)propoxy]benzenesulfonate Openeye Name: 4-hydroxy-3-[3-(trimethylammonio)propoxy]benzenesulfonate CAS Name: 4-hydroxy-3-[3-(trimethylammonio)propoxy]benzenesulfonate IUPAC Name: 4-hydroxy-3-[3-(trimethylazaniumyl)propoxy]benzenesulfonate Traditional Name: 4-hydroxy-3-[3-(trimethylammonio)propoxy]besylate Formula: C12H19NO5S MolecularWeight: 289.34796

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC1=C(C=CC(=C1)S(=O)(=O)[O-])O

Isomeric SMILES

C[N+](C)(C)CCCOC1=C(C=CC(=C1)S(=O)(=O)[O-])O

InChI

InChI=1S/C12H19NO5S/c1-13(2,3)7-4-8-18-12-9-10(19(15,16)17)5-6-11(12)14/h5-6,9H,4,7-8H2,1-3H3,(H-,14,15,16,17)