10,10-bis(oxidanylidene)-3-(2H-1,2,3,4-tetrazol-5-yl)thioxanthen-9-one hydrate

Systemtic Name: 10,10-bis(oxidanylidene)-3-(2H-1,2,3,4-tetrazol-5-yl)thioxanthen-9-one hydrate Openeye Name: 10,10-dioxo-3-(2H-tetrazol-5-yl)thioxanthen-9-one hydrate CAS Name: 10,10-dioxo-3-(2H-tetrazol-5-yl)-9-thioxanthenone hydrate IUPAC Name: 10,10-dioxo-3-(2H-tetrazol-5-yl)thioxanthen-9-one hydrate Traditional Name: 10,10-diketo-3-(2H-tetrazol-5-yl)thioxanthen-9-one hydrate Formula: C14H10N4O4S MolecularWeight: 330.3186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C4=NNN=N4.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C4=NNN=N4.O

InChI

InChI=1S/C14H8N4O3S.H2O/c19-13-9-3-1-2-4-11(9)22(20,21)12-7-8(5-6-10(12)13)14-15-17-18-16-14;/h1-7H,(H,15,16,17,18);1H2