(E)-1-azanyl-3-methyl-icos-11-ene-2-sulfonic acid

Systemtic Name: (E)-1-azanyl-3-methyl-icos-11-ene-2-sulfonic acid Openeye Name: (E)-1-amino-3-methyl-icos-11-ene-2-sulfonic acid CAS Name: (E)-1-amino-3-methyl-11-eicosene-2-sulfonic acid IUPAC Name: (E)-1-amino-3-methylicos-11-ene-2-sulfonic acid Traditional Name: (E)-1-amino-3-methyl-eicos-11-ene-2-sulfonic acid Formula: C21H43NO3S MolecularWeight: 389.63602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(C)C(CN)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H43NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(2)21(19-22)26(23,24)25/h10-11,20-21H,3-9,12-19,22H2,1-2H3,(H,23,24,25)/b11-10+