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

Systemtic Name: [bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-pyridin-3-yl-methyl] 5-bromanylfuran-2-carboxylate Openeye Name: [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic 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] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] ester Formula: C31H45BrNO6P MolecularWeight: 638.569861

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)(C(C2=CN=CC=C2)OC(=O)C3=CC=C(O3)Br)OC4CC(CCC4C(C)C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OP(=O)(C(C2=CN=CC=C2)OC(=O)C3=CC=C(O3)Br)OC4CC(CCC4C(C)C)C)C(C)C

InChI

InChI=1S/C31H45BrNO6P/c1-19(2)24-11-9-21(5)16-27(24)38-40(35,39-28-17-22(6)10-12-25(28)20(3)4)31(23-8-7-15-33-18-23)37-30(34)26-13-14-29(32)36-26/h7-8,13-15,18-22,24-25,27-28,31H,9-12,16-17H2,1-6H3