3-[tert-butyl-oxidanidyl-[oxidanyl(phenyl)methyl]azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[tert-butyl-oxidanidyl-[oxidanyl(phenyl)methyl]azaniumyl]propane-1-sulfonate Openeye Name: 3-[tert-butyl-[hydroxy(phenyl)methyl]-oxido-ammonio]propane-1-sulfonate CAS Name: 3-[tert-butyl-[hydroxy(phenyl)methyl]-oxidoammonio]-1-propanesulfonate IUPAC Name: 3-[tert-butyl-[hydroxy(phenyl)methyl]-oxidoazaniumyl]propane-1-sulfonate Traditional Name: 3-[tert-butyl-[hydroxy(phenyl)methyl]-oxido-ammonio]propane-1-sulfonate Formula: C14H22NO5S- MolecularWeight: 316.39318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO5S/c1-14(2,3)15(17,10-7-11-21(18,19)20)13(16)12-8-5-4-6-9-12/h4-6,8-9,13,16H,7,10-11H2,1-3H3,(H,18,19,20)/p-1