1-dodecyl-2,4,4-trimethyl-cyclohexa-2,5-diene-1-sulfonate; pyridin-1-ium

Systemtic Name: 1-dodecyl-2,4,4-trimethyl-cyclohexa-2,5-diene-1-sulfonate; pyridin-1-ium Openeye Name: 1-dodecyl-2,4,4-trimethyl-cyclohexa-2,5-diene-1-sulfonate; pyridin-1-ium CAS Name: 1-dodecyl-2,4,4-trimethyl-1-cyclohexa-2,5-dienesulfonate; pyridin-1-ium IUPAC Name: 1-dodecyl-2,4,4-trimethylcyclohexa-2,5-diene-1-sulfonate; pyridin-1-ium Traditional Name: 1-lauryl-2,4,4-trimethyl-cyclohexa-2,5-diene-1-sulfonate; pyridin-1-ium Formula: C26H43NO3S MolecularWeight: 449.68952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1(C=CC(C=C1C)(C)C)S(=O)(=O)[O-].C1=CC=[NH+]C=C1

Isomeric SMILES

CCCCCCCCCCCCC1(C=CC(C=C1C)(C)C)S(=O)(=O)[O-].C1=CC=[NH+]C=C1

InChI

InChI=1S/C21H38O3S.C5H5N/c1-5-6-7-8-9-10-11-12-13-14-15-21(25(22,23)24)17-16-20(3,4)18-19(21)2;1-2-4-6-5-3-1/h16-18H,5-15H2,1-4H3,(H,22,23,24);1-5H