(2S,3S,4S)-6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-4-phenylsulfanyl-hexane-1,3-diol

Systemtic Name: (2S,3S,4S)-6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-4-phenylsulfanyl-hexane-1,3-diol Openeye Name: (2S,3S,4S)-6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-4-phenylsulfanyl-hexane-1,3-diol CAS Name: (2S,3S,4S)-6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-4-(phenylthio)hexane-1,3-diol IUPAC Name: (2S,3S,4S)-6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-4-phenylsulfanylhexane-1,3-diol Traditional Name: (2S,3S,4S)-6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-4-(phenylthio)hexane-1,3-diol Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C(C(C)(CCC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3)O

Isomeric SMILES

C[C@@H](CO)[C@@H]([C@](C)(CCC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3)O

InChI

InChI=1S/C21H26O4S/c1-15(13-22)20(23)21(2,26-17-6-4-3-5-7-17)11-10-16-8-9-18-19(12-16)25-14-24-18/h3-9,12,15,20,22-23H,10-11,13-14H2,1-2H3/t15-,20-,21-/m0/s1