2-[9-oxidanylidene-6-(2H-1,2,3,4-tetrazol-5-yl)xanthen-2-yl]oxyethyl ethanoate

Systemtic Name: 2-[9-oxidanylidene-6-(2H-1,2,3,4-tetrazol-5-yl)xanthen-2-yl]oxyethyl ethanoate Openeye Name: 2-[9-oxo-6-(2H-tetrazol-5-yl)xanthen-2-yl]oxyethyl acetate CAS Name: acetic acid 2-[[9-oxo-6-(2H-tetrazol-5-yl)-2-xanthenyl]oxy]ethyl ester IUPAC Name: 2-[9-oxo-6-(2H-tetrazol-5-yl)xanthen-2-yl]oxyethyl acetate Traditional Name: acetic acid 2-[9-keto-6-(2H-tetrazol-5-yl)xanthen-2-yl]oxyethyl ester Formula: C18H14N4O5 MolecularWeight: 366.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)C4=NNN=N4

Isomeric SMILES

CC(=O)OCCOC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)C4=NNN=N4

InChI

InChI=1S/C18H14N4O5/c1-10(23)25-6-7-26-12-3-5-15-14(9-12)17(24)13-4-2-11(8-16(13)27-15)18-19-21-22-20-18/h2-5,8-9H,6-7H2,1H3,(H,19,20,21,22)