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

Systemtic Name: tris[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] phosphate Openeye Name: tris[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] phosphate CAS Name: phosphoric acid tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphate Traditional Name: phosphoric acid tris[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C30H57O4P MolecularWeight: 512.744941

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)(OC2CC(CCC2C(C)C)C)OC3CC(CCC3C(C)C)C)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)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)C(C)C

InChI

InChI=1S/C30H57O4P/c1-19(2)25-13-10-22(7)16-28(25)32-35(31,33-29-17-23(8)11-14-26(29)20(3)4)34-30-18-24(9)12-15-27(30)21(5)6/h19-30H,10-18H2,1-9H3/t22-,23-,24-,25+,26+,27+,28-,29-,30-/m1/s1