1-bis[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy]phosphoryl-3-chloranyl-propan-2-one

Systemtic Name: 1-bis[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy]phosphoryl-3-chloranyl-propan-2-one Openeye Name: 1-bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]phosphoryl-3-chloro-propan-2-one CAS Name: 1-bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]phosphoryl-3-chloro-2-propanone IUPAC Name: 1-bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]phosphoryl-3-chloropropan-2-one Traditional Name: 1-bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]phosphoryl-3-chloro-acetone Formula: C23H42ClO4P MolecularWeight: 449.003941

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)(CC(=O)CCl)OC2CC(CCC2C(C)C)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H42ClO4P/c1-15(2)20-9-7-17(5)11-22(20)27-29(26,14-19(25)13-24)28-23-12-18(6)8-10-21(23)16(3)4/h15-18,20-23H,7-14H2,1-6H3/t17-,18-,20+,21+,22-,23-/m1/s1