palladium(2+); (E,4E)-1-phenyl-4-(phenylmethylidene)heptadec-1-en-3-one

Systemtic Name: palladium(2+); (E,4E)-1-phenyl-4-(phenylmethylidene)heptadec-1-en-3-one Openeye Name: (E,4E)-4-benzylidene-1-phenyl-heptadec-1-en-3-one; palladium(2+) CAS Name: palladium(2+); (E,4E)-1-phenyl-4-(phenylmethylene)-1-heptadecen-3-one IUPAC Name: (E,4E)-4-benzylidene-1-phenylheptadec-1-en-3-one; palladium(2+) Traditional Name: (1E,4E)-1,5-diphenyl-2-tridecyl-penta-1,4-dien-3-one; palladium(2+) Formula: C90H120O3Pd2+4 MolecularWeight: 1462.754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=CC1=CC=CC=C1)C(=O)C=CC2=CC=CC=C2.CCCCCCCCCCCCCC(=CC1=CC=CC=C1)C(=O)C=CC2=CC=CC=C2.CCCCCCCCCCCCCC(=CC1=CC=CC=C1)C(=O)C=CC2=CC=CC=C2.[Pd+2].[Pd+2]

Isomeric SMILES

CCCCCCCCCCCCC/C(=C\C1=CC=CC=C1)/C(=O)/C=C/C2=CC=CC=C2.CCCCCCCCCCCCC/C(=C\C1=CC=CC=C1)/C(=O)/C=C/C2=CC=CC=C2.CCCCCCCCCCCCC/C(=C\C1=CC=CC=C1)/C(=O)/C=C/C2=CC=CC=C2.[Pd+2].[Pd+2]

InChI

InChI=1S/3C30H40O.2Pd/c3*1-2-3-4-5-6-7-8-9-10-11-18-23-29(26-28-21-16-13-17-22-28)30(31)25-24-27-19-14-12-15-20-27;;/h3*12-17,19-22,24-26H,2-11,18,23H2,1H3;;/q;;;2*+2/b3*25-24+,29-26+;;