(E)-1-azanyl-4-methyl-3-oxidanylidene-icos-11-ene-2-sulfonic acid

Systemtic Name: (E)-1-azanyl-4-methyl-3-oxidanylidene-icos-11-ene-2-sulfonic acid Openeye Name: (E)-1-amino-4-methyl-3-oxo-icos-11-ene-2-sulfonic acid CAS Name: (E)-1-amino-4-methyl-3-oxo-11-eicosene-2-sulfonic acid IUPAC Name: (E)-1-amino-4-methyl-3-oxoicos-11-ene-2-sulfonic acid Traditional Name: (E)-1-amino-3-keto-4-methyl-eicos-11-ene-2-sulfonic acid Formula: C21H41NO4S MolecularWeight: 403.61954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H41NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)21(23)20(18-22)27(24,25)26/h10-11,19-20H,3-9,12-18,22H2,1-2H3,(H,24,25,26)/b11-10+