2,2-bis[2,22-dimethyl-12-(10-methylundecoxy)tricosan-12-yl]-13-methyl-3-(10-methylundecyl)tetradecane-1,3-diol

Systemtic Name: 2,2-bis[2,22-dimethyl-12-(10-methylundecoxy)tricosan-12-yl]-13-methyl-3-(10-methylundecyl)tetradecane-1,3-diol Openeye Name: 13-methyl-2,2-bis[11-methyl-1-(10-methylundecoxy)-1-(10-methylundecyl)dodecyl]-3-(10-methylundecyl)tetradecane-1,3-diol CAS Name: 2,2-bis[2,22-dimethyl-12-(10-methylundecoxy)tricosan-12-yl]-13-methyl-3-(10-methylundecyl)tetradecane-1,3-diol IUPAC Name: 2,2-bis[2,22-dimethyl-12-(10-methylundecoxy)tricosan-12-yl]-13-methyl-3-(10-methylundecyl)tetradecane-1,3-diol Traditional Name: 13-methyl-2,2-bis[11-methyl-1-(10-methylundecoxy)-1-(10-methylundecyl)dodecyl]-3-(10-methylundecyl)tetradecane-1,3-diol Formula: C101H204O4 MolecularWeight: 1482.69806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCC(CCCCCCCCCC(C)C)(C(CO)(C(CCCCCCCCCC(C)C)(CCCCCCCCCC(C)C)OCCCCCCCCCC(C)C)C(CCCCCCCCCC(C)C)(CCCCCCCCCC(C)C)OCCCCCCCCCC(C)C)O

Isomeric SMILES

CC(C)CCCCCCCCCC(CCCCCCCCCC(C)C)(C(CO)(C(CCCCCCCCCC(C)C)(CCCCCCCCCC(C)C)OCCCCCCCCCC(C)C)C(CCCCCCCCCC(C)C)(CCCCCCCCCC(C)C)OCCCCCCCCCC(C)C)O

InChI

InChI=1S/C101H204O4/c1-90(2)73-57-41-25-17-33-49-65-81-98(103,82-66-50-34-18-26-42-58-74-91(3)4)101(89-102,99(83-67-51-35-19-27-43-59-75-92(5)6,84-68-52-36-20-28-44-60-76-93(7)8)104-87-71-55-39-23-31-47-63-79-96(13)14)100(85-69-53-37-21-29-45-61-77-94(9)10,86-70-54-38-22-30-46-62-78-95(11)12)105-88-72-56-40-24-32-48-64-80-97(15)16/h90-97,102-103H,17-89H2,1-16H3