4-oxidanyl-1-phenyl-pentane-1-sulfonate

Systemtic Name: 4-oxidanyl-1-phenyl-pentane-1-sulfonate Openeye Name: 4-hydroxy-1-phenyl-pentane-1-sulfonate CAS Name: 4-hydroxy-1-phenyl-1-pentanesulfonate IUPAC Name: 4-hydroxy-1-phenylpentane-1-sulfonate Traditional Name: 4-hydroxy-1-phenyl-pentane-1-sulfonate Formula: C11H15O4S- MolecularWeight: 243.2994

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C1=CC=CC=C1)S(=O)(=O)[O-])O

Isomeric SMILES

CC(CCC(C1=CC=CC=C1)S(=O)(=O)[O-])O

InChI

InChI=1S/C11H16O4S/c1-9(12)7-8-11(16(13,14)15)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3,(H,13,14,15)/p-1