[2,4,6-tris[bis(acetyloxymethoxy)phosphoryloxy]-3,5-di(butanoyloxy)cyclohexyl] butanoate

Systemtic Name: [2,4,6-tris[bis(acetyloxymethoxy)phosphoryloxy]-3,5-di(butanoyloxy)cyclohexyl] butanoate Openeye Name: [2,4,6-tris[bis(acetoxymethoxy)phosphoryloxy]-3,5-di(butanoyloxy)cyclohexyl] butanoate CAS Name: butanoic acid [2,4,6-tris[bis(acetyloxymethoxy)phosphoryloxy]-3,5-bis(1-oxobutoxy)cyclohexyl] ester IUPAC Name: [2,4,6-tris[bis(acetyloxymethoxy)phosphoryloxy]-3,5-di(butanoyloxy)cyclohexyl] butanoate Traditional Name: butyric acid [2,4,6-tris[bis(acetoxymethoxy)phosphoryloxy]-3,5-dibutyryloxy-cyclohexyl] ester Formula: C36H57O30P3 MolecularWeight: 1062.741063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1C(C(C(C(C1OP(=O)(OCOC(=O)C)OCOC(=O)C)OC(=O)CCC)OP(=O)(OCOC(=O)C)OCOC(=O)C)OC(=O)CCC)OP(=O)(OCOC(=O)C)OCOC(=O)C

Isomeric SMILES

CCCC(=O)OC1C(C(C(C(C1OP(=O)(OCOC(=O)C)OCOC(=O)C)OC(=O)CCC)OP(=O)(OCOC(=O)C)OCOC(=O)C)OC(=O)CCC)OP(=O)(OCOC(=O)C)OCOC(=O)C

InChI

InChI=1S/C36H57O30P3/c1-10-13-28(43)61-31-34(64-67(46,55-16-49-22(4)37)56-17-50-23(5)38)32(62-29(44)14-11-2)36(66-69(48,59-20-53-26(8)41)60-21-54-27(9)42)33(63-30(45)15-12-3)35(31)65-68(47,57-18-51-24(6)39)58-19-52-25(7)40/h31-36H,10-21H2,1-9H3