(E)-1-azanylhenicos-12-ene-2-sulfonic acid

Systemtic Name: (E)-1-azanylhenicos-12-ene-2-sulfonic acid Openeye Name: (E)-1-aminohenicos-12-ene-2-sulfonic acid CAS Name: (E)-1-amino-12-heneicosene-2-sulfonic acid IUPAC Name: (E)-1-aminohenicos-12-ene-2-sulfonic acid Traditional Name: (E)-1-aminoheneicos-12-ene-2-sulfonic acid Formula: C21H43NO3S MolecularWeight: 389.63602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCC(CN)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCC(CN)S(=O)(=O)O

InChI

InChI=1S/C21H43NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20-22)26(23,24)25/h9-10,21H,2-8,11-20,22H2,1H3,(H,23,24,25)/b10-9+