buta-1,3-diene; ethanoic acid; iridium; triphenylphosphane

Systemtic Name: buta-1,3-diene; ethanoic acid; iridium; triphenylphosphane Openeye Name: acetic acid; buta-1,3-diene; iridium; triphenylphosphane CAS Name: acetic acid; buta-1,3-diene; iridium; triphenylphosphine IUPAC Name: acetic acid; buta-1,3-diene; iridium; triphenylphosphane Traditional Name: acetic acid; buta-1,3-diene; iridium; triphenylphosphine Formula: C42H38IrO2P2-2 MolecularWeight: 828.914442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.[CH-]=CC=[CH-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ir]

Isomeric SMILES

CC(=O)O.[CH-]=CC=[CH-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ir]

InChI

InChI=1S/2C18H15P.C4H4.C2H4O2.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-2;1-2(3)4;/h2*1-15H;1-4H;1H3,(H,3,4);/q;;-2;;