1-(4-decylphenyl)-2,4,6-triphenyl-pyridin-1-ium; hydrogen sulfate

Systemtic Name: 1-(4-decylphenyl)-2,4,6-triphenyl-pyridin-1-ium; hydrogen sulfate Openeye Name: 1-(4-decylphenyl)-2,4,6-triphenyl-pyridin-1-ium; hydrogen sulfate CAS Name: 1-(4-decylphenyl)-2,4,6-triphenylpyridin-1-ium; hydrogen sulfate IUPAC Name: 1-(4-decylphenyl)-2,4,6-triphenylpyridin-1-ium; hydrogen sulfate Traditional Name: 1-(4-decylphenyl)-2,4,6-triphenyl-pyridin-1-ium bisulfate Formula: C39H43NO4S MolecularWeight: 621.82802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.OS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.OS(=O)(=O)[O-]

InChI

InChI=1S/C39H42N.H2O4S/c1-2-3-4-5-6-7-8-12-19-32-26-28-37(29-27-32)40-38(34-22-15-10-16-23-34)30-36(33-20-13-9-14-21-33)31-39(40)35-24-17-11-18-25-35;1-5(2,3)4/h9-11,13-18,20-31H,2-8,12,19H2,1H3;(H2,1,2,3,4)/q+1;/p-1