4-[[(3,5-dimethylphenyl)azaniumyl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate

Systemtic Name: 4-[[(3,5-dimethylphenyl)azaniumyl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate Openeye Name: 4-[[(3,5-dimethylphenyl)ammonio]methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 4-[[(3,5-dimethylphenyl)ammonio]methyl]-2-oxo-7-phenyl-1-benzopyran-6-olate IUPAC Name: 4-[[(3,5-dimethylphenyl)azaniumyl]methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 4-[[(3,5-dimethylphenyl)ammonio]methyl]-2-keto-7-phenyl-chromen-6-olate Formula: C24H21NO3 MolecularWeight: 371.42844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[NH2+]CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)[NH2+]CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C24H21NO3/c1-15-8-16(2)10-19(9-15)25-14-18-11-24(27)28-23-13-20(22(26)12-21(18)23)17-6-4-3-5-7-17/h3-13,25-26H,14H2,1-2H3