1-(4-dodecylphenyl)-2,4,6-triphenyl-pyridin-1-ium; 2-sulfoethanoate

Systemtic Name: 1-(4-dodecylphenyl)-2,4,6-triphenyl-pyridin-1-ium; 2-sulfoethanoate Openeye Name: 1-(4-dodecylphenyl)-2,4,6-triphenyl-pyridin-1-ium; 2-sulfoacetate CAS Name: 1-(4-dodecylphenyl)-2,4,6-triphenylpyridin-1-ium; 2-sulfoacetate IUPAC Name: 1-(4-dodecylphenyl)-2,4,6-triphenylpyridin-1-ium; 2-sulfoacetate Traditional Name: 1-(4-laurylphenyl)-2,4,6-triphenyl-pyridin-1-ium; 2-sulfoacetate Formula: C43H49NO5S MolecularWeight: 691.91786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C41H46N.C2H4O5S/c1-2-3-4-5-6-7-8-9-10-14-21-34-28-30-39(31-29-34)42-40(36-24-17-12-18-25-36)32-38(35-22-15-11-16-23-35)33-41(42)37-26-19-13-20-27-37;3-2(4)1-8(5,6)7/h11-13,15-20,22-33H,2-10,14,21H2,1H3;1H2,(H,3,4)(H,5,6,7)/q+1;/p-1