O1-(2-octyldodecyl) O4-(5,7,7-trimethyloctyl) 2-(4,4-dimethylpentan-2-yl)-2-oxidanyl-butanedioate

Systemtic Name: O1-(2-octyldodecyl) O4-(5,7,7-trimethyloctyl) 2-(4,4-dimethylpentan-2-yl)-2-oxidanyl-butanedioate Openeye Name: O1-(2-octyldodecyl) O4-(5,7,7-trimethyloctyl) 2-hydroxy-2-(1,3,3-trimethylbutyl)butanedioate CAS Name: 2-(4,4-dimethylpentan-2-yl)-2-hydroxybutanedioic acid O1-(2-octyldodecyl) ester O4-(5,7,7-trimethyloctyl) ester IUPAC Name: 1-O-(2-octyldodecyl) 4-O-(5,7,7-trimethyloctyl) 2-(4,4-dimethylpentan-2-yl)-2-hydroxybutanedioate Traditional Name: 2-hydroxy-2-(1,3,3-trimethylbutyl)succinic acid O1-(2-octyldodecyl) ester O4-(5,7,7-trimethyloctyl) ester Formula: C42H82O5 MolecularWeight: 667.09748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)COC(=O)C(CC(=O)OCCCCC(C)CC(C)(C)C)(C(C)CC(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)COC(=O)C(CC(=O)OCCCCC(C)CC(C)(C)C)(C(C)CC(C)(C)C)O

InChI

InChI=1S/C42H82O5/c1-11-13-15-17-19-20-22-24-29-37(28-23-21-18-16-14-12-2)34-47-39(44)42(45,36(4)32-41(8,9)10)33-38(43)46-30-26-25-27-35(3)31-40(5,6)7/h35-37,45H,11-34H2,1-10H3