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

Systemtic Name: 2-[9-oxidanylidene-6-(2H-1,2,3,4-tetrazol-5-yl)xanthen-2-yl]oxyethyl butanoate Openeye Name: 2-[9-oxo-6-(2H-tetrazol-5-yl)xanthen-2-yl]oxyethyl butanoate CAS Name: butanoic 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 butanoate Traditional Name: butyric acid 2-[9-keto-6-(2H-tetrazol-5-yl)xanthen-2-yl]oxyethyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5/c1-2-3-18(25)28-9-8-27-13-5-7-16-15(11-13)19(26)14-6-4-12(10-17(14)29-16)20-21-23-24-22-20/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22,23,24)