oxidanium; 2,5-bis[(3,4-diethyl-5-methyl-pyrrol-2-ylidene)methyl]-3,4-diethyl-pyrrol-1-ide; chloranylnickel

Systemtic Name: oxidanium; 2,5-bis[(3,4-diethyl-5-methyl-pyrrol-2-ylidene)methyl]-3,4-diethyl-pyrrol-1-ide; chloranylnickel Openeye Name: oxonium; 2,5-bis[(3,4-diethyl-5-methyl-pyrrol-2-ylidene)methyl]-3,4-diethyl-pyrrol-1-ide; chloronickel CAS Name: oxonium; 2,5-bis[(3,4-diethyl-5-methyl-2-pyrrolylidene)methyl]-3,4-diethylpyrrol-1-ide; chloronickel IUPAC Name: oxidanium; 2,5-bis[(3,4-diethyl-5-methylpyrrol-2-ylidene)methyl]-3,4-diethylpyrrol-1-ide; chloronickel Traditional Name: oxonium; 2,5-bis[(3,4-diethyl-5-methyl-pyrrol-2-ylidene)methyl]-3,4-diethyl-pyrrol-1-ide; chloronickel Formula: C28H41ClN3NiO MolecularWeight: 529.79104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC2=C(C(=C([N-]2)C=C3C(=C(C(=N3)C)CC)CC)CC)CC)N=C1C)CC.[OH3+].Cl[Ni]

Isomeric SMILES

CCC1=C(C(=CC2=C(C(=C([N-]2)C=C3C(=C(C(=N3)C)CC)CC)CC)CC)N=C1C)CC.[OH3+].Cl[Ni]

InChI

InChI=1S/C28H38N3.ClH.Ni.H2O/c1-9-19-17(7)29-25(21(19)11-3)15-27-23(13-5)24(14-6)28(31-27)16-26-22(12-4)20(10-2)18(8)30-26;;;/h15-16H,9-14H2,1-8H3;1H;;1H2/q-1;;+1;