(2S,3R)-3-(1-adamantylsulfanyl)-3-phenyl-propane-1,2-diol

Systemtic Name: (2S,3R)-3-(1-adamantylsulfanyl)-3-phenyl-propane-1,2-diol Openeye Name: (2S,3R)-3-(1-adamantylsulfanyl)-3-phenyl-propane-1,2-diol CAS Name: (2S,3R)-3-(1-adamantylthio)-3-phenylpropane-1,2-diol IUPAC Name: (2S,3R)-3-(1-adamantylsulfanyl)-3-phenylpropane-1,2-diol Traditional Name: (2S,3R)-3-(1-adamantylthio)-3-phenyl-propane-1,2-diol Formula: C19H26O2S MolecularWeight: 318.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SC(C4=CC=CC=C4)C(CO)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)S[C@H](C4=CC=CC=C4)[C@H](CO)O

InChI

InChI=1S/C19H26O2S/c20-12-17(21)18(16-4-2-1-3-5-16)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,13-15,17-18,20-21H,6-12H2/t13?,14?,15?,17-,18+,19?/m0/s1