(1R,2S)-1-(1-adamantylsulfanyl)-3-methoxy-1-(2,4,6-trimethylphenyl)propan-2-ol

Systemtic Name: (1R,2S)-1-(1-adamantylsulfanyl)-3-methoxy-1-(2,4,6-trimethylphenyl)propan-2-ol Openeye Name: (1R,2S)-1-(1-adamantylsulfanyl)-3-methoxy-1-(2,4,6-trimethylphenyl)propan-2-ol CAS Name: (1R,2S)-1-(1-adamantylthio)-3-methoxy-1-(2,4,6-trimethylphenyl)-2-propanol IUPAC Name: (1R,2S)-1-(1-adamantylsulfanyl)-3-methoxy-1-(2,4,6-trimethylphenyl)propan-2-ol Traditional Name: (1R,2S)-1-(1-adamantylthio)-1-mesityl-3-methoxy-propan-2-ol Formula: C23H34O2S MolecularWeight: 374.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(C(COC)O)SC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[C@H]([C@H](COC)O)SC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H34O2S/c1-14-5-15(2)21(16(3)6-14)22(20(24)13-25-4)26-23-10-17-7-18(11-23)9-19(8-17)12-23/h5-6,17-20,22,24H,7-13H2,1-4H3/t17?,18?,19?,20-,22-,23?/m0/s1