carbanylium; 4-[(2Z)-2-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-methyl-2-phenyl-1H-pyrazol-3-one; iron

Systemtic Name: carbanylium; 4-[(2Z)-2-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-methyl-2-phenyl-1H-pyrazol-3-one; iron Openeye Name: carbanylium; 4-[(2Z)-2-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-methyl-2-phenyl-1H-pyrazol-3-one; iron CAS Name: carbanylium; 4-[(2Z)-2-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-5-methyl-2-phenyl-1H-pyrazol-3-one; iron IUPAC Name: carbanylium; 4-[(2Z)-2-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-methyl-2-phenyl-1H-pyrazol-3-one; iron Traditional Name: carbanylium; 4-[(N'Z)-N'-(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-methyl-2-phenyl-3-pyrazolin-3-one; iron Formula: C34H32Cl2FeN8O4+2 MolecularWeight: 743.42008

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Descriptors Computed from Structure

Canonical SMILES:

[CH3+].[CH3+].CC1=C(C(=O)N(N1)C2=CC=CC=C2)NN=C3C=C(C=CC3=O)Cl.CC1=C(C(=O)N(N1)C2=CC=CC=C2)NN=C3C=C(C=CC3=O)Cl.[Fe]

Isomeric SMILES

[CH3+].[CH3+].CC1=C(C(=O)N(N1)C2=CC=CC=C2)N/N=C/3\C(=O)C=CC(=C3)Cl.CC1=C(C(=O)N(N1)C2=CC=CC=C2)N/N=C/3\C(=O)C=CC(=C3)Cl.[Fe]

InChI

InChI=1S/2C16H13ClN4O2.2CH3.Fe/c2*1-10-15(19-18-13-9-11(17)7-8-14(13)22)16(23)21(20-10)12-5-3-2-4-6-12;;;/h2*2-9,19-20H,1H3;2*1H3;/q;;2*+1;/b2*18-13-;;;