tris[2-[bis(2-chloroethyloxy)phosphoryl]-1-chloranyl-3-methyl-butan-2-yl] phosphate

Systemtic Name: tris[2-[bis(2-chloroethyloxy)phosphoryl]-1-chloranyl-3-methyl-butan-2-yl] phosphate Openeye Name: tris[1-[bis(2-chloroethoxy)phosphoryl]-1-(chloromethyl)-2-methyl-propyl] phosphate CAS Name: phosphoric acid tris[2-[bis(2-chloroethoxy)phosphoryl]-1-chloro-3-methylbutan-2-yl] ester IUPAC Name: tris[2-[bis(2-chloroethoxy)phosphoryl]-1-chloro-3-methylbutan-2-yl] phosphate Traditional Name: phosphoric acid tris[1-[bis(2-chloroethoxy)phosphoryl]-1-(chloromethyl)-2-methyl-propyl] ester Formula: C27H51Cl9O13P4 MolecularWeight: 1026.658084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCl)(OP(=O)(OC(CCl)(C(C)C)P(=O)(OCCCl)OCCCl)OC(CCl)(C(C)C)P(=O)(OCCCl)OCCCl)P(=O)(OCCCl)OCCCl

Isomeric SMILES

CC(C)C(CCl)(OP(=O)(OC(CCl)(C(C)C)P(=O)(OCCCl)OCCCl)OC(CCl)(C(C)C)P(=O)(OCCCl)OCCCl)P(=O)(OCCCl)OCCCl

InChI

InChI=1S/C27H51Cl9O13P4/c1-22(2)25(19-34,50(37,41-13-7-28)42-14-8-29)47-53(40,48-26(20-35,23(3)4)51(38,43-15-9-30)44-16-10-31)49-27(21-36,24(5)6)52(39,45-17-11-32)46-18-12-33/h22-24H,7-21H2,1-6H3