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

Systemtic Name: [bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-(4-bromophenyl)methyl] benzoate Openeye Name: [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(4-bromophenyl)methyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(4-bromophenyl)methyl] ester Formula: C34H48BrO5P MolecularWeight: 647.619681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H48BrO5P/c1-22(2)29-18-12-24(5)20-31(29)39-41(37,40-32-21-25(6)13-19-30(32)23(3)4)34(27-14-16-28(35)17-15-27)38-33(36)26-10-8-7-9-11-26/h7-11,14-17,22-25,29-32,34H,12-13,18-21H2,1-6H3