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

Systemtic Name: [bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-(4-bromophenyl)methyl] 2-thiophen-2-ylethanoate Openeye Name: [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(4-bromophenyl)methyl] 2-(2-thienyl)acetate CAS Name: 2-thiophen-2-ylacetic 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-thiophen-2-ylacetate Traditional Name: 2-(2-thienyl)acetic acid [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(4-bromophenyl)methyl] ester Formula: C33H48BrO5PS MolecularWeight: 667.673981

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H48BrO5PS/c1-21(2)28-15-9-23(5)18-30(28)38-40(36,39-31-19-24(6)10-16-29(31)22(3)4)33(25-11-13-26(34)14-12-25)37-32(35)20-27-8-7-17-41-27/h7-8,11-14,17,21-24,28-31,33H,9-10,15-16,18-20H2,1-6H3