(4-methyl-2-oxidanyl-phenyl) benzenesulfonate

Systemtic Name: (4-methyl-2-oxidanyl-phenyl) benzenesulfonate Openeye Name: (2-hydroxy-4-methyl-phenyl) benzenesulfonate CAS Name: benzenesulfonic acid (2-hydroxy-4-methylphenyl) ester IUPAC Name: (2-hydroxy-4-methylphenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (2-hydroxy-4-methyl-phenyl) ester Formula: C13H12O4S MolecularWeight: 264.29698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C13H12O4S/c1-10-7-8-13(12(14)9-10)17-18(15,16)11-5-3-2-4-6-11/h2-9,14H,1H3