3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]-8-sulfanylidene-nonanoate

Systemtic Name: 3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]-8-sulfanylidene-nonanoate Openeye Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-8-thioxo-nonanoate CAS Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-8-sulfanylidenenonanoate IUPAC Name: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxo-8-sulfanylidenenonanoate Traditional Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-8-thioxo-pelargonate Formula: C14H25NO4S MolecularWeight: 303.4176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)CCCCC(=O)C(C(C[N+](C)(C)C)O)C(=O)[O-]

Isomeric SMILES

CC(=S)CCCCC(=O)C(C(C[N+](C)(C)C)O)C(=O)[O-]

InChI

InChI=1S/C14H25NO4S/c1-10(20)7-5-6-8-11(16)13(14(18)19)12(17)9-15(2,3)4/h12-13,17H,5-9H2,1-4H3