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

Systemtic Name: [bis[(2-methyl-5-propan-2-yl-cyclohexyl)oxy]phosphoryl-pyridin-3-yl-methyl] thiophene-2-carboxylate Openeye Name: [bis(5-isopropyl-2-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [bis[(2-methyl-5-propan-2-ylcyclohexyl)oxy]phosphoryl-(3-pyridinyl)methyl] ester IUPAC Name: [bis[(2-methyl-5-propan-2-ylcyclohexyl)oxy]phosphoryl-pyridin-3-ylmethyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [bis(5-isopropyl-2-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] ester Formula: C31H46NO5PS MolecularWeight: 575.739401

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1OP(=O)(C(C2=CN=CC=C2)OC(=O)C3=CC=CS3)OC4CC(CCC4C)C(C)C)C(C)C

Isomeric SMILES

CC1CCC(CC1OP(=O)(C(C2=CN=CC=C2)OC(=O)C3=CC=CS3)OC4CC(CCC4C)C(C)C)C(C)C

InChI

InChI=1S/C31H46NO5PS/c1-20(2)24-13-11-22(5)27(17-24)36-38(34,37-28-18-25(21(3)4)14-12-23(28)6)31(26-9-7-15-32-19-26)35-30(33)29-10-8-16-39-29/h7-10,15-16,19-25,27-28,31H,11-14,17-18H2,1-6H3