1-(3H-furan-3-id-2-yl)isoquinoline; iridium; (Z)-4-oxidanyl-4-phenyl-but-3-en-2-one

Systemtic Name: 1-(3H-furan-3-id-2-yl)isoquinoline; iridium; (Z)-4-oxidanyl-4-phenyl-but-3-en-2-one Openeye Name: 1-(3H-furan-3-id-2-yl)isoquinoline; (Z)-4-hydroxy-4-phenyl-but-3-en-2-one; iridium CAS Name: 1-(3H-furan-3-id-2-yl)isoquinoline; (Z)-4-hydroxy-4-phenyl-3-buten-2-one; iridium IUPAC Name: 1-(3H-furan-3-id-2-yl)isoquinoline; (Z)-4-hydroxy-4-phenylbut-3-en-2-one; iridium Traditional Name: 1-(3H-furan-3-id-2-yl)isoquinoline; (Z)-4-hydroxy-4-phenyl-but-3-en-2-one; iridium Formula: C23H18IrNO3- MolecularWeight: 548.61092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=C(C1=CC=CC=C1)O.C1=CC=C2C(=C1)C=CN=C2C3=[C-]C=CO3.[Ir]

Isomeric SMILES

CC(=O)/C=C(/C1=CC=CC=C1)\O.C1=CC=C2C(=C1)C=CN=C2C3=[C-]C=CO3.[Ir]

InChI

InChI=1S/C13H8NO.C10H10O2.Ir/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12;1-8(11)7-10(12)9-5-3-2-4-6-9;/h1-5,7-9H;2-7,12H,1H3;/q-1;;/b;10-7-;