methyl bis[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy]phosphorylmethanedithioate

Systemtic Name: methyl bis[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy]phosphorylmethanedithioate Openeye Name: methyl bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]phosphorylmethanedithioate CAS Name: bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]phosphorylmethanedithioic acid methyl ester IUPAC Name: methyl bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]phosphorylmethanedithioate Traditional Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]phosphorylmethanedithioic acid methyl ester Formula: C22H41O3PS2 MolecularWeight: 448.662901

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)(C(=S)SC)OC2CC(CCC2C(C)C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(C(=S)SC)O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)C(C)C

InChI

InChI=1S/C22H41O3PS2/c1-14(2)18-10-8-16(5)12-20(18)24-26(23,22(27)28-7)25-21-13-17(6)9-11-19(21)15(3)4/h14-21H,8-13H2,1-7H3/t16-,17-,18+,19+,20-,21-/m1/s1