2-butoxy-6-(2H-1,2,3,4-tetrazol-5-yl)xanthen-9-one

Systemtic Name: 2-butoxy-6-(2H-1,2,3,4-tetrazol-5-yl)xanthen-9-one Openeye Name: 2-butoxy-6-(2H-tetrazol-5-yl)xanthen-9-one CAS Name: 2-butoxy-6-(2H-tetrazol-5-yl)-9-xanthenone IUPAC Name: 2-butoxy-6-(2H-tetrazol-5-yl)xanthen-9-one Traditional Name: 2-butoxy-6-(2H-tetrazol-5-yl)xanthone Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)C4=NNN=N4

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)C4=NNN=N4

InChI

InChI=1S/C18H16N4O3/c1-2-3-8-24-12-5-7-15-14(10-12)17(23)13-6-4-11(9-16(13)25-15)18-19-21-22-20-18/h4-7,9-10H,2-3,8H2,1H3,(H,19,20,21,22)