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

Systemtic Name: 6-bis[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy]phosphoryl-3-methyl-cyclohex-2-en-1-one Openeye Name: 6-bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]phosphoryl-3-methyl-cyclohex-2-en-1-one CAS Name: 6-bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]phosphoryl-3-methyl-1-cyclohex-2-enone IUPAC Name: 6-bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]phosphoryl-3-methylcyclohex-2-en-1-one Traditional Name: 6-bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]phosphoryl-3-methyl-cyclohex-2-en-1-one Formula: C27H47O4P MolecularWeight: 466.633441

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)(C2CCC(=CC2=O)C)OC3CC(CCC3C(C)C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(C2CCC(=CC2=O)C)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)C(C)C

InChI

InChI=1S/C27H47O4P/c1-17(2)22-11-8-20(6)15-25(22)30-32(29,27-13-10-19(5)14-24(27)28)31-26-16-21(7)9-12-23(26)18(3)4/h14,17-18,20-23,25-27H,8-13,15-16H2,1-7H3/t20-,21-,22+,23+,25-,26-,27?/m1/s1