[bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-(4-bromophenyl)methyl] 2-(4-methylphenoxy)ethanoate

Systemtic Name: [bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-(4-bromophenyl)methyl] 2-(4-methylphenoxy)ethanoate Openeye Name: [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(4-bromophenyl)methyl] 2-(4-methylphenoxy)acetate CAS Name: 2-(4-methylphenoxy)acetic 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] 2-(4-methylphenoxy)acetate Traditional Name: 2-(4-methylphenoxy)acetic acid [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(4-bromophenyl)methyl] ester Formula: C36H52BrO6P MolecularWeight: 691.672241

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)(C(C2=CC=C(C=C2)Br)OC(=O)COC3=CC=C(C=C3)C)OC4CC(CCC4C(C)C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OP(=O)(C(C2=CC=C(C=C2)Br)OC(=O)COC3=CC=C(C=C3)C)OC4CC(CCC4C(C)C)C)C(C)C

InChI

InChI=1S/C36H52BrO6P/c1-23(2)31-18-10-26(6)20-33(31)42-44(39,43-34-21-27(7)11-19-32(34)24(3)4)36(28-12-14-29(37)15-13-28)41-35(38)22-40-30-16-8-25(5)9-17-30/h8-9,12-17,23-24,26-27,31-34,36H,10-11,18-22H2,1-7H3