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

Systemtic Name: [bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-(4-bromophenyl)methyl] 2-naphthalen-2-yloxyethanoate Openeye Name: [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(4-bromophenyl)methyl] 2-(2-naphthyloxy)acetate CAS Name: 2-(2-naphthalenyloxy)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-naphthalen-2-yloxyacetate Traditional Name: 2-(2-naphthoxy)acetic acid [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(4-bromophenyl)methyl] ester Formula: C39H52BrO6P MolecularWeight: 727.704341

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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=CC4=CC=CC=C4C=C3)OC5CC(CCC5C(C)C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OP(=O)(C(C2=CC=C(C=C2)Br)OC(=O)COC3=CC4=CC=CC=C4C=C3)OC5CC(CCC5C(C)C)C)C(C)C

InChI

InChI=1S/C39H52BrO6P/c1-25(2)34-19-11-27(5)21-36(34)45-47(42,46-37-22-28(6)12-20-35(37)26(3)4)39(30-13-16-32(40)17-14-30)44-38(41)24-43-33-18-15-29-9-7-8-10-31(29)23-33/h7-10,13-18,23,25-28,34-37,39H,11-12,19-22,24H2,1-6H3