1-(4-dodecylphenyl)-2,4,6-trimethyl-pyridin-1-ium; 2-sulfonatoethanoate

Systemtic Name: 1-(4-dodecylphenyl)-2,4,6-trimethyl-pyridin-1-ium; 2-sulfonatoethanoate Openeye Name: 1-(4-dodecylphenyl)-2,4,6-trimethyl-pyridin-1-ium; 2-sulfonatoacetate CAS Name: 1-(4-dodecylphenyl)-2,4,6-trimethylpyridin-1-ium; 2-sulfonatoacetate IUPAC Name: 1-(4-dodecylphenyl)-2,4,6-trimethylpyridin-1-ium; 2-sulfonatoacetate Traditional Name: 1-(4-laurylphenyl)-2,4,6-trimethyl-pyridin-1-ium; 2-sulfonatoacetate Formula: C54H82N2O5S MolecularWeight: 871.30428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C)C)C.CCCCCCCCCCCCC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C)C)C.C(C(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C)C)C.CCCCCCCCCCCCC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C)C)C.C(C(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/2C26H40N.C2H4O5S/c2*1-5-6-7-8-9-10-11-12-13-14-15-25-16-18-26(19-17-25)27-23(3)20-22(2)21-24(27)4;3-2(4)1-8(5,6)7/h2*16-21H,5-15H2,1-4H3;1H2,(H,3,4)(H,5,6,7)/q2*+1;/p-2