1-azanyl-3-octadecylsulfinyl-butane-2-sulfonic acid

Systemtic Name: 1-azanyl-3-octadecylsulfinyl-butane-2-sulfonic acid Openeye Name: 1-amino-3-octadecylsulfinyl-butane-2-sulfonic acid CAS Name: 1-amino-3-octadecylsulfinyl-2-butanesulfonic acid IUPAC Name: 1-amino-3-octadecylsulfinylbutane-2-sulfonic acid Traditional Name: 1-amino-3-stearylsulfinyl-butane-2-sulfonic acid Formula: C22H47NO4S2 MolecularWeight: 453.74288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCS(=O)C(C)C(CN)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCS(=O)C(C)C(CN)S(=O)(=O)O

InChI

InChI=1S/C22H47NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(24)21(2)22(20-23)29(25,26)27/h21-22H,3-20,23H2,1-2H3,(H,25,26,27)