2-dodecylbenzenesulfonate; pyridin-1-ium

Systemtic Name: 2-dodecylbenzenesulfonate; pyridin-1-ium Openeye Name: 2-dodecylbenzenesulfonate; pyridin-1-ium CAS Name: 2-dodecylbenzenesulfonate; pyridin-1-ium IUPAC Name: 2-dodecylbenzenesulfonate; pyridin-1-ium Traditional Name: 2-laurylbesylate; pyridin-1-ium Formula: C23H35NO3S MolecularWeight: 405.5939

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=[NH+]C=C1

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=[NH+]C=C1

InChI

InChI=1S/C18H30O3S.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-2-4-6-5-3-1/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);1-5H