3-(1,3-benzothiazol-2-yl)-7-(dimethylamino)-4H-chromen-4-id-2-one; iridium(3-); (Z)-4-oxidanylpent-3-en-2-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-7-(dimethylamino)-4H-chromen-4-id-2-one; iridium(3-); (Z)-4-oxidanylpent-3-en-2-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-(dimethylamino)-4H-chromen-4-id-2-one; (Z)-4-hydroxypent-3-en-2-one; iridium(3-) CAS Name: 3-(1,3-benzothiazol-2-yl)-7-(dimethylamino)-4H-1-benzopyran-4-id-2-one; (Z)-4-hydroxy-3-penten-2-one; iridium(3-) IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-(dimethylamino)-4H-chromen-4-id-2-one; (Z)-4-hydroxypent-3-en-2-one; iridium(3-) Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-(dimethylamino)-4H-chromen-4-id-2-one; (Z)-4-hydroxypent-3-en-2-one; iridium(3-) Formula: C41H34IrN4O6S2-5 MolecularWeight: 935.07886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.CN(C)C1=CC2=C(C=C1)[C-]=C(C(=O)O2)C3=NC4=CC=CC=C4S3.CN(C)C1=CC2=C(C=C1)[C-]=C(C(=O)O2)C3=NC4=CC=CC=C4S3.[Ir-3]

Isomeric SMILES

C/C(=C/C(=O)C)/O.CN(C)C1=CC2=C(C=C1)[C-]=C(C(=O)O2)C3=NC4=CC=CC=C4S3.CN(C)C1=CC2=C(C=C1)[C-]=C(C(=O)O2)C3=NC4=CC=CC=C4S3.[Ir-3]

InChI

InChI=1S/2C18H13N2O2S.C5H8O2.Ir/c2*1-20(2)12-8-7-11-9-13(18(21)22-15(11)10-12)17-19-14-5-3-4-6-16(14)23-17;1-4(6)3-5(2)7;/h2*3-8,10H,1-2H3;3,6H,1-2H3;/q2*-1;;-3/b;;4-3-;