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

Systemtic Name: sodium 2-(2-hydroxyethyloxy)-6-(2H-1,2,3,4-tetrazol-5-yl)xanthen-9-one Openeye Name: sodium 2-(2-hydroxyethoxy)-6-(2H-tetrazol-5-yl)xanthen-9-one CAS Name: sodium 2-(2-hydroxyethoxy)-6-(2H-tetrazol-5-yl)-9-xanthenone IUPAC Name: sodium 2-(2-hydroxyethoxy)-6-(2H-tetrazol-5-yl)xanthen-9-one Traditional Name: sodium 2-(2-hydroxyethoxy)-6-(2H-tetrazol-5-yl)xanthone Formula: C16H12N4NaO4+ MolecularWeight: 347.28065

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C3=NNN=N3)OC4=C(C2=O)C=C(C=C4)OCCO.[Na+]

Isomeric SMILES

C1=CC2=C(C=C1C3=NNN=N3)OC4=C(C2=O)C=C(C=C4)OCCO.[Na+]

InChI

InChI=1S/C16H12N4O4.Na/c21-5-6-23-10-2-4-13-12(8-10)15(22)11-3-1-9(7-14(11)24-13)16-17-19-20-18-16;/h1-4,7-8,21H,5-6H2,(H,17,18,19,20);/q;+1