2-methylsulfanylethylazanium; (E)-undec-2-enoate

Systemtic Name: 2-methylsulfanylethylazanium; (E)-undec-2-enoate Openeye Name: 2-methylsulfanylethylammonium; (E)-undec-2-enoate CAS Name: 2-(methylthio)ethylammonium; (E)-2-undecenoate IUPAC Name: 2-methylsulfanylethylazanium; (E)-undec-2-enoate Traditional Name: 2-(methylthio)ethylammonium; (E)-undec-2-enoate Formula: C14H29NO2S MolecularWeight: 275.45056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC(=O)[O-].CSCC[NH3+]

Isomeric SMILES

CCCCCCCC/C=C/C(=O)[O-].CSCC[NH3+]

InChI

InChI=1S/C11H20O2.C3H9NS/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-5-3-2-4/h9-10H,2-8H2,1H3,(H,12,13);2-4H2,1H3/b10-9+;