(E)-2-(2-azanyl-2-oxidanylidene-ethyl)-2-sulfo-icos-11-enoic acid

Systemtic Name: (E)-2-(2-azanyl-2-oxidanylidene-ethyl)-2-sulfo-icos-11-enoic acid Openeye Name: (E)-2-(2-amino-2-oxo-ethyl)-2-sulfo-icos-11-enoic acid CAS Name: (E)-2-(2-amino-2-oxoethyl)-2-sulfo-11-eicosenoic acid IUPAC Name: (E)-2-(2-amino-2-oxoethyl)-2-sulfoicos-11-enoic acid Traditional Name: (E)-2-(2-amino-2-keto-ethyl)-2-sulfo-eicos-11-enoic acid Formula: C22H41NO6S MolecularWeight: 447.62904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CC(=O)N)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(CC(=O)N)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H41NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(21(25)26,19-20(23)24)30(27,28)29/h9-10H,2-8,11-19H2,1H3,(H2,23,24)(H,25,26)(H,27,28,29)/b10-9+