(3-tert-butyl-4-oxidanyl-phenyl) benzenesulfonate

Systemtic Name: (3-tert-butyl-4-oxidanyl-phenyl) benzenesulfonate Openeye Name: (3-tert-butyl-4-hydroxy-phenyl) benzenesulfonate CAS Name: benzenesulfonic acid (3-tert-butyl-4-hydroxyphenyl) ester IUPAC Name: (3-tert-butyl-4-hydroxyphenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (3-tert-butyl-4-hydroxy-phenyl) ester Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O4S/c1-16(2,3)14-11-12(9-10-15(14)17)20-21(18,19)13-7-5-4-6-8-13/h4-11,17H,1-3H3