(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]azanium perchlorate

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]azanium perchlorate Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-[6-methyl-2-(p-tolyl)chromen-4-ylidene]ammonium perchlorate CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-[6-methyl-2-(4-methylphenyl)-1-benzopyran-4-ylidene]ammonium perchlorate IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]azanium perchlorate Traditional Name: (3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-[6-methyl-2-(p-tolyl)chromen-4-ylidene]ammonium perchlorate Formula: C28H26ClN3O6 MolecularWeight: 535.97554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=[NH+]C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C5=C(O2)C=CC(=C5)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=[NH+]C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C5=C(O2)C=CC(=C5)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C28H25N3O2.ClHO4/c1-18-10-13-21(14-11-18)26-17-24(23-16-19(2)12-15-25(23)33-26)29-27-20(3)30(4)31(28(27)32)22-8-6-5-7-9-22;2-1(3,4)5/h5-17H,1-4H3;(H,2,3,4,5)