2-azanyl-1-dodecylsulfanyl-ethanesulfonic acid

Systemtic Name: 2-azanyl-1-dodecylsulfanyl-ethanesulfonic acid Openeye Name: 2-amino-1-dodecylsulfanyl-ethanesulfonic acid CAS Name: 2-amino-1-(dodecylthio)ethanesulfonic acid IUPAC Name: 2-amino-1-dodecylsulfanylethanesulfonic acid Traditional Name: 2-amino-1-(laurylthio)ethanesulfonic acid Formula: C14H31NO3S2 MolecularWeight: 325.53084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(CN)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCSC(CN)S(=O)(=O)O

InChI

InChI=1S/C14H31NO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(13-15)20(16,17)18/h14H,2-13,15H2,1H3,(H,16,17,18)