2-hexadecoxy-7-(trifluoromethyl)-3,1-benzoxazin-4-one

Systemtic Name: 2-hexadecoxy-7-(trifluoromethyl)-3,1-benzoxazin-4-one Openeye Name: 2-hexadecoxy-7-(trifluoromethyl)-3,1-benzoxazin-4-one CAS Name: 2-hexadecoxy-7-(trifluoromethyl)-3,1-benzoxazin-4-one IUPAC Name: 2-hexadecoxy-7-(trifluoromethyl)-3,1-benzoxazin-4-one Traditional Name: 2-cetyloxy-7-(trifluoromethyl)-3,1-benzoxazin-4-one Formula: C25H36F3NO3 MolecularWeight: 455.55345

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=O)O1

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=O)O1

InChI

InChI=1S/C25H36F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-31-24-29-22-19-20(25(26,27)28)16-17-21(22)23(30)32-24/h16-17,19H,2-15,18H2,1H3