chloranylrhenium; phenylcarbonyliminoazanide; pyridine-2-carboxylic acid; triphenylphosphane

Systemtic Name: chloranylrhenium; phenylcarbonyliminoazanide; pyridine-2-carboxylic acid; triphenylphosphane Openeye Name: benzoyliminoazanide; chlororhenium; pyridine-2-carboxylic acid; triphenylphosphane CAS Name: benzoyliminoazanide; chlororhenium; 2-pyridinecarboxylic acid; triphenylphosphine IUPAC Name: benzoyliminoazanide; chlororhenium; pyridine-2-carboxylic acid; triphenylphosphane Traditional Name: benzoyliminoazanide; chlororhenium; picolinic acid; triphenylphosphine Formula: C49H40ClN3O3P2Re- MolecularWeight: 1002.467722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N=[N-].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.C1=CC=NC(=C1)C(=O)O.Cl[Re]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N=[N-].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.C1=CC=NC(=C1)C(=O)O.Cl[Re]

InChI

InChI=1S/2C18H15P.C7H5N2O.C6H5NO2.ClH.Re/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-9-7(10)6-4-2-1-3-5-6;8-6(9)5-3-1-2-4-7-5;;/h2*1-15H;1-5H;1-4H,(H,8,9);1H;/q;;-1;;;+1/p-1