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

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[2-(4-methoxyphenyl)-6-oxidanyl-chromen-4-ylidene]azanium perchlorate Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]ammonium perchlorate CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-[6-hydroxy-2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]ammonium perchlorate IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]azanium perchlorate Traditional Name: [6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)ammonium perchlorate Formula: C27H24ClN3O8 MolecularWeight: 553.94776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[NH+]=C3C=C(OC4=C3C=C(C=C4)O)C5=CC=C(C=C5)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[NH+]=C3C=C(OC4=C3C=C(C=C4)O)C5=CC=C(C=C5)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C27H23N3O4.ClHO4/c1-17-26(27(32)30(29(17)2)19-7-5-4-6-8-19)28-23-16-25(18-9-12-21(33-3)13-10-18)34-24-14-11-20(31)15-22(23)24;2-1(3,4)5/h4-16,31H,1-3H3;(H,2,3,4,5)