2'-phenylspiro[2,3-dihydrochromene-4,5'-4H-1,2,4-triazol-2-ium]-3'-one

Systemtic Name: 2'-phenylspiro[2,3-dihydrochromene-4,5'-4H-1,2,4-triazol-2-ium]-3'-one Openeye Name: 2-phenylspiro[4H-1,2,4-triazol-2-ium-5,4'-chromane]-3-one CAS Name: 2'-phenyl-3'-spiro[3,4-dihydro-2H-1-benzopyran-4,5'-4H-1,2,4-triazol-2-ium]one IUPAC Name: 2'-phenylspiro[2,3-dihydrochromene-4,5'-4H-1,2,4-triazol-2-ium]-3'-one Traditional Name: 2-phenylspiro[4H-1,2,4-triazol-2-ium-5,4'-chroman]-3-one Formula: C16H14N3O2+ MolecularWeight: 280.30126

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C13NC(=O)[N+](=N3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=CC=CC=C2C13NC(=O)[N+](=N3)C4=CC=CC=C4

InChI

InChI=1S/C16H13N3O2/c20-15-17-16(18-19(15)12-6-2-1-3-7-12)10-11-21-14-9-5-4-8-13(14)16/h1-9H,10-11H2/p+1