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

Systemtic Name: 3-[9-oxidanylidene-6-(2H-1,2,3,4-tetrazol-5-yl)xanthen-2-yl]oxypropyl ethanoate Openeye Name: 3-[9-oxo-6-(2H-tetrazol-5-yl)xanthen-2-yl]oxypropyl acetate CAS Name: acetic acid 3-[[9-oxo-6-(2H-tetrazol-5-yl)-2-xanthenyl]oxy]propyl ester IUPAC Name: 3-[9-oxo-6-(2H-tetrazol-5-yl)xanthen-2-yl]oxypropyl acetate Traditional Name: acetic acid 3-[9-keto-6-(2H-tetrazol-5-yl)xanthen-2-yl]oxypropyl ester Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCOC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)C4=NNN=N4

Isomeric SMILES

CC(=O)OCCCOC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)C4=NNN=N4

InChI

InChI=1S/C19H16N4O5/c1-11(24)26-7-2-8-27-13-4-6-16-15(10-13)18(25)14-5-3-12(9-17(14)28-16)19-20-22-23-21-19/h3-6,9-10H,2,7-8H2,1H3,(H,20,21,22,23)