3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one; iridium; (Z)-pent-2-ene-2,4-diol

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one; iridium; (Z)-pent-2-ene-2,4-diol Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one; iridium; (Z)-pent-2-ene-2,4-diol CAS Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-benzopyran-2-one; iridium; (Z)-2-pentene-2,4-diol IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one; iridium; (Z)-pent-2-ene-2,4-diol Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)coumarin; iridium; (Z)-pent-2-ene-2,4-diol Formula: C45H46IrN4O6S2 MolecularWeight: 995.21694

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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(C=C(C)O)O.[Ir]

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.CC(/C=C(/C)\O)O.[Ir]

InChI

InChI=1S/2C20H18N2O2S.C5H10O2.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*5-12H,3-4H2,1-2H3;3-4,6-7H,1-2H3;/b;;5-3-;