4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; (1Z,5Z)-cycloocta-1,5-diene; (E)-4-ethoxy-4-oxidanylidene-but-2-enoate; iridium

Systemtic Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; (1Z,5Z)-cycloocta-1,5-diene; (E)-4-ethoxy-4-oxidanylidene-but-2-enoate; iridium Openeye Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine; (1Z,5Z)-cycloocta-1,5-diene; (E)-4-ethoxy-4-oxo-but-2-enoate; iridium CAS Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; (1Z,5Z)-cycloocta-1,5-diene; (E)-4-ethoxy-4-oxo-2-butenoate; iridium IUPAC Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; (1Z,5Z)-cycloocta-1,5-diene; (E)-4-ethoxy-4-oxobut-2-enoate; iridium Traditional Name: 4-[5-(4-amidinophenoxy)pentoxy]benzamidine; (1Z,5Z)-cycloocta-1,5-diene; (E)-4-ethoxy-4-keto-but-2-enoate; iridium Formula: C47H62Ir2N4O10-2 MolecularWeight: 1227.44998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)[O-].CCOC(=O)C=CC(=O)[O-].C1CC=CCCC=C1.C1CC=CCCC=C1.C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.[Ir].[Ir]

Isomeric SMILES

CCOC(=O)/C=C/C(=O)[O-].CCOC(=O)/C=C/C(=O)[O-].C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.[Ir].[Ir]

InChI

InChI=1S/C19H24N4O2.2C8H12.2C6H8O4.2Ir/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;2*1-2-4-6-8-7-5-3-1;2*1-2-10-6(9)4-3-5(7)8;;/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*1-2,7-8H,3-6H2;2*3-4H,2H2,1H3,(H,7,8);;/p-2/b;2*2-1-,8-7-;2*4-3+;;