[bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-(4-bromophenyl)methyl] (E)-3-thiophen-2-ylprop-2-enoate

Systemtic Name: [bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-(4-bromophenyl)methyl] (E)-3-thiophen-2-ylprop-2-enoate Openeye Name: [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(4-bromophenyl)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-(4-bromophenyl)methyl] ester IUPAC Name: [bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphoryl-(4-bromophenyl)methyl] (E)-3-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-(2-thienyl)acrylic acid [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(4-bromophenyl)methyl] ester Formula: C34H48BrO5PS MolecularWeight: 679.684681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H48BrO5PS/c1-22(2)29-16-9-24(5)20-31(29)39-41(37,40-32-21-25(6)10-17-30(32)23(3)4)34(26-11-13-27(35)14-12-26)38-33(36)18-15-28-8-7-19-42-28/h7-8,11-15,18-19,22-25,29-32,34H,9-10,16-17,20-21H2,1-6H3/b18-15+