didodecyl 2-phenyl-4,6-bis(pyridin-1-ium-1-ylmethyl)cyclohexa-3,6-diene-1,3-dicarboxylate

Systemtic Name: didodecyl 2-phenyl-4,6-bis(pyridin-1-ium-1-ylmethyl)cyclohexa-3,6-diene-1,3-dicarboxylate Openeye Name: didodecyl 2-phenyl-4,6-bis(pyridin-1-ium-1-ylmethyl)cyclohexa-3,6-diene-1,3-dicarboxylate CAS Name: 2-phenyl-4,6-bis(1-pyridin-1-iumylmethyl)cyclohexa-3,6-diene-1,3-dicarboxylic acid didodecyl ester IUPAC Name: didodecyl 2-phenyl-4,6-bis(pyridin-1-ium-1-ylmethyl)cyclohexa-3,6-diene-1,3-dicarboxylate Traditional Name: 2-phenyl-4,6-bis(pyridin-1-ium-1-ylmethyl)cyclohexa-3,6-diene-1,3-dicarboxylic acid dilauryl ester Formula: C50H72N2O4+2 MolecularWeight: 765.11768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=C(CC(=C(C1C2=CC=CC=C2)C(=O)OCCCCCCCCCCCC)C[N+]3=CC=CC=C3)C[N+]4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=C(CC(=C(C1C2=CC=CC=C2)C(=O)OCCCCCCCCCCCC)C[N+]3=CC=CC=C3)C[N+]4=CC=CC=C4

InChI

InChI=1S/C50H72N2O4/c1-3-5-7-9-11-13-15-17-19-30-38-55-49(53)47-44(41-51-34-26-22-27-35-51)40-45(42-52-36-28-23-29-37-52)48(46(47)43-32-24-21-25-33-43)50(54)56-39-31-20-18-16-14-12-10-8-6-4-2/h21-29,32-37,46H,3-20,30-31,38-42H2,1-2H3/q+2