(E)-N-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-11-sulfanyl-undec-2-enenitrilium

Systemtic Name: (E)-N-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-11-sulfanyl-undec-2-enenitrilium Openeye Name: (E)-N-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-11-sulfanyl-undec-2-enenitrilium CAS Name: (E)-N-[(E)-3-hydroxy-3-oxoprop-1-enyl]-11-mercapto-2-undecenenitrilium IUPAC Name: (E)-N-[(E)-3-hydroxy-3-oxoprop-1-enyl]-11-sulfanylundec-2-enenitrilium Traditional Name: (E)-N-[(E)-3-hydroxy-3-keto-prop-1-enyl]-11-mercapto-undec-2-enenitrilium Formula: C14H22NO2S+ MolecularWeight: 268.39498

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCS)CCCC=CC#[N+]C=CC(=O)O

Isomeric SMILES

C(CCCCS)CCC/C=C/C#[N+]/C=C/C(=O)O

InChI

InChI=1S/C14H21NO2S/c16-14(17)10-12-15-11-8-6-4-2-1-3-5-7-9-13-18/h6,8,10,12H,1-5,7,9,13H2,(H-,16,17,18)/p+1/b8-6+,12-10+