3,5,5-trimethyl-3-[(2-methylsulfanylphenyl)-oxidanyl-methyl]-4,6-dihydro-2H-1-benzothiocin-6-ol

Systemtic Name: 3,5,5-trimethyl-3-[(2-methylsulfanylphenyl)-oxidanyl-methyl]-4,6-dihydro-2H-1-benzothiocin-6-ol Openeye Name: 3-[hydroxy-(2-methylsulfanylphenyl)methyl]-3,5,5-trimethyl-4,6-dihydro-2H-1-benzothiocin-6-ol CAS Name: 3-[hydroxy-[2-(methylthio)phenyl]methyl]-3,5,5-trimethyl-4,6-dihydro-2H-1-benzothiocin-6-ol IUPAC Name: 3-[hydroxy-(2-methylsulfanylphenyl)methyl]-3,5,5-trimethyl-4,6-dihydro-2H-1-benzothiocin-6-ol Traditional Name: 3-[hydroxy-[2-(methylthio)phenyl]methyl]-3,5,5-trimethyl-4,6-dihydro-2H-1-benzothiocin-6-ol Formula: C22H28O2S2 MolecularWeight: 388.58652

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CSC2=CC=CC=C2C1O)(C)C(C3=CC=CC=C3SC)O)C

Isomeric SMILES

CC1(CC(CSC2=CC=CC=C2C1O)(C)C(C3=CC=CC=C3SC)O)C

InChI

InChI=1S/C22H28O2S2/c1-21(2)13-22(3,20(24)15-9-5-7-11-17(15)25-4)14-26-18-12-8-6-10-16(18)19(21)23/h5-12,19-20,23-24H,13-14H2,1-4H3