(3-ethyl-5-oxidanyl-phenyl) benzenesulfonate

Systemtic Name: (3-ethyl-5-oxidanyl-phenyl) benzenesulfonate Openeye Name: (3-ethyl-5-hydroxy-phenyl) benzenesulfonate CAS Name: benzenesulfonic acid (3-ethyl-5-hydroxyphenyl) ester IUPAC Name: (3-ethyl-5-hydroxyphenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (3-ethyl-5-hydroxy-phenyl) ester Formula: C14H14O4S MolecularWeight: 278.32356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C14H14O4S/c1-2-11-8-12(15)10-13(9-11)18-19(16,17)14-6-4-3-5-7-14/h3-10,15H,2H2,1H3