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

Systemtic Name: [bis[(2-methyl-5-propan-2-yl-cyclohexyl)oxy]phosphoryl-pyridin-3-yl-methyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [bis(5-isopropyl-2-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic 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] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [bis(5-isopropyl-2-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] ester Formula: C33H47BrNO6P MolecularWeight: 664.607141

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1OP(=O)(C(C2=CN=CC=C2)OC(=O)C=CC3=CC=C(O3)Br)OC4CC(CCC4C)C(C)C)C(C)C

Isomeric SMILES

CC1CCC(CC1OP(=O)(C(C2=CN=CC=C2)OC(=O)/C=C/C3=CC=C(O3)Br)OC4CC(CCC4C)C(C)C)C(C)C

InChI

InChI=1S/C33H47BrNO6P/c1-21(2)25-11-9-23(5)29(18-25)40-42(37,41-30-19-26(22(3)4)12-10-24(30)6)33(27-8-7-17-35-20-27)39-32(36)16-14-28-13-15-31(34)38-28/h7-8,13-17,20-26,29-30,33H,9-12,18-19H2,1-6H3/b16-14+