[3-(2-methylhentriacontanoyloxy)-2,2-bis(2-methylhentriacontanoyloxymethyl)propyl] 2-methylhentriacontanoate

Systemtic Name: [3-(2-methylhentriacontanoyloxy)-2,2-bis(2-methylhentriacontanoyloxymethyl)propyl] 2-methylhentriacontanoate Openeye Name: [3-(2-methylhentriacontanoyloxy)-2,2-bis(2-methylhentriacontanoyloxymethyl)propyl] 2-methylhentriacontanoate CAS Name: 2-methylhentriacontanoic acid [3-(2-methyl-1-oxohentriacontoxy)-2,2-bis[(2-methyl-1-oxohentriacontoxy)methyl]propyl] ester IUPAC Name: [3-(2-methylhentriacontanoyloxy)-2,2-bis(2-methylhentriacontanoyloxymethyl)propyl] 2-methylhentriacontanoate Traditional Name: 2-methylhentriacontanoic acid [3-(2-methylhentriacontanoyloxy)-2,2-bis(2-methylhentriacontanoyloxymethyl)propyl] ester Formula: C133H260O8 MolecularWeight: 1987.4827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C(=O)OCC(COC(=O)C(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)C(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C(=O)OCC(COC(=O)C(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)C(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C133H260O8/c1-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-85-89-93-97-101-105-109-113-117-125(5)129(134)138-121-133(122-139-130(135)126(6)118-114-110-106-102-98-94-90-86-82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-2,123-140-131(136)127(7)119-115-111-107-103-99-95-91-87-83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-3)124-141-132(137)128(8)120-116-112-108-104-100-96-92-88-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-4/h125-128H,9-124H2,1-8H3