19-octan-3-yloxycarbonyltritriacontanoic acid

Systemtic Name: 19-octan-3-yloxycarbonyltritriacontanoic acid Openeye Name: 19-(1-ethylhexoxycarbonyl)tritriacontanoic acid CAS Name: 19-[octan-3-yloxy(oxo)methyl]tritriacontanoic acid IUPAC Name: 19-octan-3-yloxycarbonyltritriacontanoic acid Traditional Name: 19-(1-ethylhexoxycarbonyl)ceromelissic acid Formula: C42H82O4 MolecularWeight: 651.09808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC(=O)O)C(=O)OC(CC)CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC(=O)O)C(=O)OC(CC)CCCCC

InChI

InChI=1S/C42H82O4/c1-4-7-9-10-11-12-13-19-22-25-28-32-35-39(42(45)46-40(6-3)37-31-8-5-2)36-33-29-26-23-20-17-15-14-16-18-21-24-27-30-34-38-41(43)44/h39-40H,4-38H2,1-3H3,(H,43,44)