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2,2-di(octadecan-9-yl)hexanedioic acid

2,2-di(octadecan-9-yl)hexanedioic acid

Systemtic Name:2,2-di(octadecan-9-yl)hexanedioic acid
Openeye Name:2,2-bis(1-octyldecyl)hexanedioic acid
CAS Name:2,2-di(octadecan-9-yl)hexanedioic acid
IUPAC Name:2,2-di(octadecan-9-yl)hexanedioic acid
Traditional Name:2,2-bis(1-octyldecyl)adipic acid
Formula: C42H82O4
MolecularWeight: 651.09808
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)C(CCCC(=O)O)(C(CCCCCCCC)CCCCCCCCC)C(=O)O


Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)C(CCCC(=O)O)(C(CCCCCCCC)CCCCCCCCC)C(=O)O


InChI

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


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