4,4-dimethyl-2-phenylsulfanyl-cyclohexa-2,5-diene-1,1-diol

Systemtic Name: 4,4-dimethyl-2-phenylsulfanyl-cyclohexa-2,5-diene-1,1-diol Openeye Name: 4,4-dimethyl-2-phenylsulfanyl-cyclohexa-2,5-diene-1,1-diol CAS Name: 4,4-dimethyl-2-(phenylthio)cyclohexa-2,5-diene-1,1-diol IUPAC Name: 4,4-dimethyl-2-phenylsulfanylcyclohexa-2,5-diene-1,1-diol Traditional Name: 4,4-dimethyl-2-(phenylthio)cyclohexa-2,5-diene-1,1-diol Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(C(=C1)SC2=CC=CC=C2)(O)O)C

Isomeric SMILES

CC1(C=CC(C(=C1)SC2=CC=CC=C2)(O)O)C

InChI

InChI=1S/C14H16O2S/c1-13(2)8-9-14(15,16)12(10-13)17-11-6-4-3-5-7-11/h3-10,15-16H,1-2H3