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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one; iridium(3-); (Z)-4-oxidanylpent-3-en-2-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one; (Z)-4-hydroxypent-3-en-2-one; iridium(3-) CAS Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-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-(diethylamino)-4H-chromen-4-id-2-one; (Z)-4-hydroxypent-3-en-2-one; iridium(3-) Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one; (Z)-4-hydroxypent-3-en-2-one; iridium(3-) Formula: C45H42IrN4O6S2-5 MolecularWeight: 991.18518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C20H17N2O2S.C5H8O2.Ir/c2*1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19;1-4(6)3-5(2)7;/h2*5-10,12H,3-4H2,1-2H3;3,6H,1-2H3;/q2*-1;;-3/b;;4-3-;