[bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-pyridin-3-yl-methyl] benzoate

Systemtic Name: [bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-pyridin-3-yl-methyl] benzoate Openeye Name: [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] benzoate CAS Name: benzoic acid [bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphoryl-(3-pyridinyl)methyl] ester IUPAC Name: [bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphoryl-pyridin-3-ylmethyl] benzoate Traditional Name: benzoic acid [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] ester Formula: C33H48NO5P MolecularWeight: 569.711681

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)(C(C2=CN=CC=C2)OC(=O)C3=CC=CC=C3)OC4CC(CCC4C(C)C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OP(=O)(C(C2=CN=CC=C2)OC(=O)C3=CC=CC=C3)OC4CC(CCC4C(C)C)C)C(C)C

InChI

InChI=1S/C33H48NO5P/c1-22(2)28-16-14-24(5)19-30(28)38-40(36,39-31-20-25(6)15-17-29(31)23(3)4)33(27-13-10-18-34-21-27)37-32(35)26-11-8-7-9-12-26/h7-13,18,21-25,28-31,33H,14-17,19-20H2,1-6H3