methyl (E)-1-azanyl-3-oxidanylidene-icos-11-ene-2-sulfonate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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