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

Systemtic Name: sodium 2-(2-oxidanylpropoxy)-6-(2H-1,2,3,4-tetrazol-5-yl)xanthen-9-one Openeye Name: sodium 2-(2-hydroxypropoxy)-6-(2H-tetrazol-5-yl)xanthen-9-one CAS Name: sodium 2-(2-hydroxypropoxy)-6-(2H-tetrazol-5-yl)-9-xanthenone IUPAC Name: sodium 2-(2-hydroxypropoxy)-6-(2H-tetrazol-5-yl)xanthen-9-one Traditional Name: sodium 2-(2-hydroxypropoxy)-6-(2H-tetrazol-5-yl)xanthone Formula: C17H14N4NaO4+ MolecularWeight: 361.30723

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)C4=NNN=N4)O.[Na+]

Isomeric SMILES

CC(COC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)C4=NNN=N4)O.[Na+]

InChI

InChI=1S/C17H14N4O4.Na/c1-9(22)8-24-11-3-5-14-13(7-11)16(23)12-4-2-10(6-15(12)25-14)17-18-20-21-19-17;/h2-7,9,22H,8H2,1H3,(H,18,19,20,21);/q;+1