iridium; (Z)-pent-2-ene-2,4-diol; 2-phenyl-1,3-benzothiazole

Systemtic Name: iridium; (Z)-pent-2-ene-2,4-diol; 2-phenyl-1,3-benzothiazole Openeye Name: iridium; (Z)-pent-2-ene-2,4-diol; 2-phenyl-1,3-benzothiazole CAS Name: iridium; (Z)-2-pentene-2,4-diol; 2-phenyl-1,3-benzothiazole IUPAC Name: iridium; (Z)-pent-2-ene-2,4-diol; 2-phenyl-1,3-benzothiazole Traditional Name: iridium; (Z)-pent-2-ene-2,4-diol; 2-phenyl-1,3-benzothiazole Formula: C31H28IrN2O2S2 MolecularWeight: 716.91322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C)O)O.C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2.C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2.[Ir]

Isomeric SMILES

CC(/C=C(/C)\O)O.C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2.C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2.[Ir]

InChI

InChI=1S/2C13H9NS.C5H10O2.Ir/c2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-4(6)3-5(2)7;/h2*1-9H;3-4,6-7H,1-2H3;/b;;5-3-;