[1,1-bis(6-methylheptanoyloxy)-1,2,3-tris(oxidanyl)propan-2-yl] 6-methylheptanoate

Systemtic Name: [1,1-bis(6-methylheptanoyloxy)-1,2,3-tris(oxidanyl)propan-2-yl] 6-methylheptanoate Openeye Name: [1,2-dihydroxy-1-(hydroxymethyl)-2,2-bis(6-methylheptanoyloxy)ethyl] 6-methylheptanoate CAS Name: 6-methylheptanoic acid [1,2,3-trihydroxy-1,1-bis(6-methyl-1-oxoheptoxy)propan-2-yl] ester IUPAC Name: [1,2,3-trihydroxy-1,1-bis(6-methylheptanoyloxy)propan-2-yl] 6-methylheptanoate Traditional Name: 6-methylenanthic acid [1,2-dihydroxy-2,2-bis(6-methylheptanoyloxy)-1-methylol-ethyl] ester Formula: C27H50O9 MolecularWeight: 518.6805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC(=O)OC(CO)(C(O)(OC(=O)CCCCC(C)C)OC(=O)CCCCC(C)C)O

Isomeric SMILES

CC(C)CCCCC(=O)OC(CO)(C(O)(OC(=O)CCCCC(C)C)OC(=O)CCCCC(C)C)O

InChI

InChI=1S/C27H50O9/c1-20(2)13-7-10-16-23(29)34-26(32,19-28)27(33,35-24(30)17-11-8-14-21(3)4)36-25(31)18-12-9-15-22(5)6/h20-22,28,32-33H,7-19H2,1-6H3