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

Systemtic Name: [bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-pyridin-3-yl-methyl] (E)-3-thiophen-2-ylprop-2-enoate Openeye Name: [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] (E)-3-(2-thienyl)prop-2-enoate CAS Name: (E)-3-thiophen-2-yl-2-propenoic 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] (E)-3-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-(2-thienyl)acrylic acid [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] ester Formula: C33H48NO5PS MolecularWeight: 601.776681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)(C(C2=CN=CC=C2)OC(=O)C=CC3=CC=CS3)OC4CC(CCC4C(C)C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OP(=O)(C(C2=CN=CC=C2)OC(=O)/C=C/C3=CC=CS3)OC4CC(CCC4C(C)C)C)C(C)C

InChI

InChI=1S/C33H48NO5PS/c1-22(2)28-14-11-24(5)19-30(28)38-40(36,39-31-20-25(6)12-15-29(31)23(3)4)33(26-9-7-17-34-21-26)37-32(35)16-13-27-10-8-18-41-27/h7-10,13,16-18,21-25,28-31,33H,11-12,14-15,19-20H2,1-6H3/b16-13+