2,2-bis(16-methylheptadecyl)hexanedioate

Systemtic Name: 2,2-bis(16-methylheptadecyl)hexanedioate Openeye Name: 2,2-bis(16-methylheptadecyl)hexanedioate CAS Name: 2,2-bis(16-methylheptadecyl)hexanedioate IUPAC Name: 2,2-bis(16-methylheptadecyl)hexanedioate Traditional Name: 2,2-bis(16-methylheptadecyl)adipate Formula: C42H80O4-2 MolecularWeight: 649.0822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(C)C)(CCCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(C)C)(CCCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C42H82O4/c1-38(2)32-27-23-19-15-11-7-5-9-13-17-21-25-29-35-42(41(45)46,37-31-34-40(43)44)36-30-26-22-18-14-10-6-8-12-16-20-24-28-33-39(3)4/h38-39H,5-37H2,1-4H3,(H,43,44)(H,45,46)/p-2