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

Systemtic Name: 2-(3-oxidanylpropoxy)-6-(2H-1,2,3,4-tetrazol-5-yl)xanthen-9-one Openeye Name: 2-(3-hydroxypropoxy)-6-(2H-tetrazol-5-yl)xanthen-9-one CAS Name: 2-(3-hydroxypropoxy)-6-(2H-tetrazol-5-yl)-9-xanthenone IUPAC Name: 2-(3-hydroxypropoxy)-6-(2H-tetrazol-5-yl)xanthen-9-one Traditional Name: 2-(3-hydroxypropoxy)-6-(2H-tetrazol-5-yl)xanthone Formula: C17H14N4O4 MolecularWeight: 338.31746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C3=NNN=N3)OC4=C(C2=O)C=C(C=C4)OCCCO

Isomeric SMILES

C1=CC2=C(C=C1C3=NNN=N3)OC4=C(C2=O)C=C(C=C4)OCCCO

InChI

InChI=1S/C17H14N4O4/c22-6-1-7-24-11-3-5-14-13(9-11)16(23)12-4-2-10(8-15(12)25-14)17-18-20-21-19-17/h2-5,8-9,22H,1,6-7H2,(H,18,19,20,21)