2-sulfoethanoate; 2,4,6-trimethyl-1-(4-octylphenyl)pyridin-1-ium

Systemtic Name: 2-sulfoethanoate; 2,4,6-trimethyl-1-(4-octylphenyl)pyridin-1-ium Openeye Name: 2-sulfoacetate; 2,4,6-trimethyl-1-(4-octylphenyl)pyridin-1-ium CAS Name: 2-sulfoacetate; 2,4,6-trimethyl-1-(4-octylphenyl)pyridin-1-ium IUPAC Name: 2-sulfoacetate; 2,4,6-trimethyl-1-(4-octylphenyl)pyridin-1-ium Traditional Name: 2-sulfoacetate; 2,4,6-trimethyl-1-(4-octylphenyl)pyridin-1-ium Formula: C24H35NO5S MolecularWeight: 449.6034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C)C)C.C(C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C)C)C.C(C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C22H32N.C2H4O5S/c1-5-6-7-8-9-10-11-21-12-14-22(15-13-21)23-19(3)16-18(2)17-20(23)4;3-2(4)1-8(5,6)7/h12-17H,5-11H2,1-4H3;1H2,(H,3,4)(H,5,6,7)/q+1;/p-1