1-[3-tert-butyl-2-(phenylsulfonyl)phenyl]butane-1,2-diol

Systemtic Name: 1-[3-tert-butyl-2-(phenylsulfonyl)phenyl]butane-1,2-diol Openeye Name: 1-[2-(benzenesulfonyl)-3-tert-butyl-phenyl]butane-1,2-diol CAS Name: 1-[2-(benzenesulfonyl)-3-tert-butylphenyl]butane-1,2-diol IUPAC Name: 1-[2-(benzenesulfonyl)-3-tert-butylphenyl]butane-1,2-diol Traditional Name: 1-(2-besyl-3-tert-butyl-phenyl)butane-1,2-diol Formula: C20H26O4S MolecularWeight: 362.48304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=C(C(=CC=C1)C(C)(C)C)S(=O)(=O)C2=CC=CC=C2)O)O

Isomeric SMILES

CCC(C(C1=C(C(=CC=C1)C(C)(C)C)S(=O)(=O)C2=CC=CC=C2)O)O

InChI

InChI=1S/C20H26O4S/c1-5-17(21)18(22)15-12-9-13-16(20(2,3)4)19(15)25(23,24)14-10-7-6-8-11-14/h6-13,17-18,21-22H,5H2,1-4H3