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

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] phenyl phosphate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] phenyl phosphate CAS Name: phosphoric acid bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phenyl ester IUPAC Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phenyl phosphate Traditional Name: phosphoric acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] phenyl ester Formula: C26H43O4P MolecularWeight: 450.590981

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)(OC2CC(CCC2C(C)C)C)OC3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)OC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C26H43O4P/c1-18(2)23-14-12-20(5)16-25(23)29-31(27,28-22-10-8-7-9-11-22)30-26-17-21(6)13-15-24(26)19(3)4/h7-11,18-21,23-26H,12-17H2,1-6H3/t20-,21-,23+,24+,25-,26-/m1/s1