benzene-1,3-dicarboxylic acid; 3,6-dihydrophenanthrene-3,6-diide; platinum; triethylphosphanium

Systemtic Name: benzene-1,3-dicarboxylic acid; 3,6-dihydrophenanthrene-3,6-diide; platinum; triethylphosphanium Openeye Name: 3,6-dihydrophenanthrene-3,6-diide; isophthalic acid; platinum; triethylphosphonium CAS Name: benzene-1,3-dicarboxylic acid; 3,6-dihydrophenanthrene-3,6-diide; platinum; triethylphosphonium IUPAC Name: benzene-1,3-dicarboxylic acid; 3,6-dihydrophenanthrene-3,6-diide; platinum; triethylphosphanium Traditional Name: 3,6-dihydrophenanthrene-3,6-diide; isophthalic acid; platinum; triethylphosphonium Formula: C92H156O8P8Pt4+4 MolecularWeight: 2418.320328

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Descriptors Computed from Structure

Canonical SMILES:

CC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC2=CC=[C-]C=C2C3=C[C-]=CC=C31.C1=CC2=CC=[C-]C=C2C3=C[C-]=CC=C31.[Pt].[Pt].[Pt].[Pt]

Isomeric SMILES

CC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC2=CC=[C-]C=C2C3=C[C-]=CC=C31.C1=CC2=CC=[C-]C=C2C3=C[C-]=CC=C31.[Pt].[Pt].[Pt].[Pt]

InChI

InChI=1S/2C14H8.2C8H6O4.8C6H15P.4Pt/c2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;2*9-7(10)5-2-1-3-6(4-5)8(11)12;8*1-4-7(5-2)6-3;;;;/h2*1-2,5-10H;2*1-4H,(H,9,10)(H,11,12);8*4-6H2,1-3H3;;;;/q2*-2;;;;;;;;;;;;;;/p+8