4-azanylhenicosane-3-sulfonic acid

Systemtic Name: 4-azanylhenicosane-3-sulfonic acid Openeye Name: 4-aminohenicosane-3-sulfonic acid CAS Name: 4-amino-3-heneicosanesulfonic acid IUPAC Name: 4-aminohenicosane-3-sulfonic acid Traditional Name: 4-aminoheneicosane-3-sulfonic acid Formula: C21H45NO3S MolecularWeight: 391.6519

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C(CC)S(=O)(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C(CC)S(=O)(=O)O)N

InChI

InChI=1S/C21H45NO3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(4-2)26(23,24)25/h20-21H,3-19,22H2,1-2H3,(H,23,24,25)