3,5-ditert-butyl-6-(phenylmethyl)-4-sulfanyl-benzene-1,2-diol

Systemtic Name: 3,5-ditert-butyl-6-(phenylmethyl)-4-sulfanyl-benzene-1,2-diol Openeye Name: 3-benzyl-4,6-ditert-butyl-5-sulfanyl-benzene-1,2-diol CAS Name: 3,5-ditert-butyl-4-mercapto-6-(phenylmethyl)benzene-1,2-diol IUPAC Name: 3-benzyl-4,6-ditert-butyl-5-sulfanylbenzene-1,2-diol Traditional Name: 3-benzyl-4,6-ditert-butyl-5-mercapto-pyrocatechol Formula: C21H28O2S MolecularWeight: 344.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C(=C1S)C(C)(C)C)O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C(=C1S)C(C)(C)C)O)O)CC2=CC=CC=C2

InChI

InChI=1S/C21H28O2S/c1-20(2,3)15-14(12-13-10-8-7-9-11-13)17(22)18(23)16(19(15)24)21(4,5)6/h7-11,22-24H,12H2,1-6H3