sodium 1-oxidanyl-3-phenyl-propane-1-sulfonate

Systemtic Name: sodium 1-oxidanyl-3-phenyl-propane-1-sulfonate Openeye Name: sodium 1-hydroxy-3-phenyl-propane-1-sulfonate CAS Name: sodium 1-hydroxy-3-phenyl-1-propanesulfonate IUPAC Name: sodium 1-hydroxy-3-phenylpropane-1-sulfonate Traditional Name: sodium 1-hydroxy-3-phenyl-propane-1-sulfonate Formula: C9H11NaO4S MolecularWeight: 238.23601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O4S.Na/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8;/h1-5,9-10H,6-7H2,(H,11,12,13);/q;+1/p-1