1-iodanyloctadecyl octadecanoate

Systemtic Name: 1-iodanyloctadecyl octadecanoate Openeye Name: 1-iodooctadecyl octadecanoate CAS Name: octadecanoic acid 1-iodooctadecyl ester IUPAC Name: 1-iodooctadecyl octadecanoate Traditional Name: stearic acid 1-iodooctadecyl ester Formula: C36H71IO2 MolecularWeight: 662.85221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(OC(=O)CCCCCCCCCCCCCCCCC)I

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(OC(=O)CCCCCCCCCCCCCCCCC)I

InChI

InChI=1S/C36H71IO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3