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

Systemtic Name: (5-methylcyclohexa-1,5-dien-1-yl) bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] phosphate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (5-methylcyclohexa-1,5-dien-1-yl) phosphate CAS Name: phosphoric acid (5-methyl-1-cyclohexa-1,5-dienyl) bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: (5-methylcyclohexa-1,5-dien-1-yl) bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphate Traditional Name: phosphoric acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (5-methylcyclohexa-1,5-dien-1-yl) ester Formula: C27H47O4P MolecularWeight: 466.633441

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H47O4P/c1-18(2)24-13-11-21(6)16-26(24)30-32(28,29-23-10-8-9-20(5)15-23)31-27-17-22(7)12-14-25(27)19(3)4/h10,15,18-19,21-22,24-27H,8-9,11-14,16-17H2,1-7H3/t21-,22-,24+,25+,26-,27-/m1/s1