2-(6-isocyanatohexyl)octadecanoic acid

Systemtic Name: 2-(6-isocyanatohexyl)octadecanoic acid Openeye Name: 2-(6-isocyanatohexyl)octadecanoic acid CAS Name: 2-(6-isocyanatohexyl)octadecanoic acid IUPAC Name: 2-(6-isocyanatohexyl)octadecanoic acid Traditional Name: 2-(6-isocyanatohexyl)stearic acid Formula: C25H47NO3 MolecularWeight: 409.64558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCN=C=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCN=C=O)C(=O)O

InChI

InChI=1S/C25H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24(25(28)29)21-18-15-16-19-22-26-23-27/h24H,2-22H2,1H3,(H,28,29)