2,2-di(hexadecan-8-yl)hexanedioic acid

Systemtic Name: 2,2-di(hexadecan-8-yl)hexanedioic acid Openeye Name: 2,2-bis(1-heptylnonyl)hexanedioic acid CAS Name: 2,2-di(hexadecan-8-yl)hexanedioic acid IUPAC Name: 2,2-di(hexadecan-8-yl)hexanedioic acid Traditional Name: 2,2-bis(1-heptylnonyl)adipic acid Formula: C38H74O4 MolecularWeight: 594.99176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H74O4/c1-5-9-13-17-21-25-30-34(28-23-19-15-11-7-3)38(37(41)42,33-27-32-36(39)40)35(29-24-20-16-12-8-4)31-26-22-18-14-10-6-2/h34-35H,5-33H2,1-4H3,(H,39,40)(H,41,42)