2,5,7,8-tetramethyl-2-[(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)carbonyl]-3,4-dihydrochromen-6-olate

Systemtic Name: 2,5,7,8-tetramethyl-2-[(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)carbonyl]-3,4-dihydrochromen-6-olate Openeye Name: 2,5,7,8-tetramethyl-2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-carbonyl)chroman-6-olate CAS Name: 2,5,7,8-tetramethyl-2-[(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)-oxomethyl]-3,4-dihydro-2H-1-benzopyran-6-olate IUPAC Name: 2,5,7,8-tetramethyl-2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-carbonyl)-3,4-dihydrochromen-6-olate Traditional Name: 2,5,7,8-tetramethyl-2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-carbonyl)chroman-6-olate Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(OC2=C1C)(C)C(=O)N3C=[N+](C(=N3)C)C4=CC=CC=C4)C)[O-]

Isomeric SMILES

CC1=C(C(=C2CCC(OC2=C1C)(C)C(=O)N3C=[N+](C(=N3)C)C4=CC=CC=C4)C)[O-]

InChI

InChI=1S/C23H25N3O3/c1-14-15(2)21-19(16(3)20(14)27)11-12-23(5,29-21)22(28)26-13-25(17(4)24-26)18-9-7-6-8-10-18/h6-10,13H,11-12H2,1-5H3