iridium; 4-(4-naphthalen-2-ylbenzene-6-id-1-yl)pyrimidine; (Z)-4-oxidanylpent-3-en-2-one

Systemtic Name: iridium; 4-(4-naphthalen-2-ylbenzene-6-id-1-yl)pyrimidine; (Z)-4-oxidanylpent-3-en-2-one Openeye Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 4-[4-(2-naphthyl)benzene-6-id-1-yl]pyrimidine CAS Name: (Z)-4-hydroxy-3-penten-2-one; iridium; 4-[4-(2-naphthalenyl)-1-benzene-6-idyl]pyrimidine IUPAC Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 4-(4-naphthalen-2-ylbenzene-6-id-1-yl)pyrimidine Traditional Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 4-[4-(2-naphthyl)benzene-6-id-1-yl]pyrimidine Formula: C25H21IrN2O2- MolecularWeight: 573.66344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.C1=CC=C2C=C(C=CC2=C1)C3=CC=C([C-]=C3)C4=NC=NC=C4.[Ir]

Isomeric SMILES

C/C(=C/C(=O)C)/O.C1=CC=C2C=C(C=CC2=C1)C3=CC=C([C-]=C3)C4=NC=NC=C4.[Ir]

InChI

InChI=1S/C20H13N2.C5H8O2.Ir/c1-2-4-18-13-19(10-7-15(18)3-1)16-5-8-17(9-6-16)20-11-12-21-14-22-20;1-4(6)3-5(2)7;/h1-8,10-14H;3,6H,1-2H3;/q-1;;/b;4-3-;