5-hexadecoxy-2-(isocyanomethyl)-6-methyl-1,3-benzoxazole

Systemtic Name: 5-hexadecoxy-2-(isocyanomethyl)-6-methyl-1,3-benzoxazole Openeye Name: 5-hexadecoxy-2-(isocyanomethyl)-6-methyl-1,3-benzoxazole CAS Name: 5-hexadecoxy-2-(isocyanomethyl)-6-methyl-1,3-benzoxazole IUPAC Name: 5-hexadecoxy-2-(isocyanomethyl)-6-methyl-1,3-benzoxazole Traditional Name: 5-cetyloxy-2-(isocyanomethyl)-6-methyl-1,3-benzoxazole Formula: C26H40N2O2 MolecularWeight: 412.608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC2=C(C=C1C)OC(=N2)C[N+]#[C-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC2=C(C=C1C)OC(=N2)C[N+]#[C-]

InChI

InChI=1S/C26H40N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-24-20-23-25(19-22(24)2)30-26(28-23)21-27-3/h19-20H,4-18,21H2,1-2H3