ethyl ethanoate; (2,4,6-triphenylpyridin-1-ium-1-yl)azanide

Systemtic Name: ethyl ethanoate; (2,4,6-triphenylpyridin-1-ium-1-yl)azanide Openeye Name: ethyl acetate; (2,4,6-triphenylpyridin-1-ium-1-yl)azanide CAS Name: acetic acid ethyl ester; (2,4,6-triphenyl-1-pyridin-1-iumyl)azanide IUPAC Name: ethyl acetate; (2,4,6-triphenylpyridin-1-ium-1-yl)azanide Traditional Name: acetic acid ethyl ester; (2,4,6-triphenylpyridin-1-ium-1-yl)azanide Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C.C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)[NH-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C.C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)[NH-])C4=CC=CC=C4

InChI

InChI=1S/C23H18N2.C4H8O2/c24-25-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(25)20-14-8-3-9-15-20;1-3-6-4(2)5/h1-17,24H;3H2,1-2H3