18-(3-isocyanato-4-methyl-phenyl)octadecanoic acid

Systemtic Name: 18-(3-isocyanato-4-methyl-phenyl)octadecanoic acid Openeye Name: 18-(3-isocyanato-4-methyl-phenyl)octadecanoic acid CAS Name: 18-(3-isocyanato-4-methylphenyl)octadecanoic acid IUPAC Name: 18-(3-isocyanato-4-methylphenyl)octadecanoic acid Traditional Name: 18-(3-isocyanato-4-methyl-phenyl)stearic acid Formula: C26H41NO3 MolecularWeight: 415.60864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCCCCCCCCCCCCCCCCC(=O)O)N=C=O

Isomeric SMILES

CC1=C(C=C(C=C1)CCCCCCCCCCCCCCCCCC(=O)O)N=C=O

InChI

InChI=1S/C26H41NO3/c1-23-19-20-24(21-25(23)27-22-28)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-26(29)30/h19-21H,2-18H2,1H3,(H,29,30)