2-(azocan-1-ylcarbothioylsulfanyl)-2-methyl-propanoic acid

Systemtic Name: 2-(azocan-1-ylcarbothioylsulfanyl)-2-methyl-propanoic acid Openeye Name: 2-(azocane-1-carbothioylsulfanyl)-2-methyl-propanoic acid CAS Name: 2-[[1-azocanyl(sulfanylidene)methyl]thio]-2-methylpropanoic acid IUPAC Name: 2-(azocane-1-carbothioylsulfanyl)-2-methylpropanoic acid Traditional Name: 2-(azocane-1-carbothioylthio)-2-methyl-propionic acid Formula: C12H21NO2S2 MolecularWeight: 275.43064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC(=S)N1CCCCCCC1

Isomeric SMILES

CC(C)(C(=O)O)SC(=S)N1CCCCCCC1

InChI

InChI=1S/C12H21NO2S2/c1-12(2,10(14)15)17-11(16)13-8-6-4-3-5-7-9-13/h3-9H2,1-2H3,(H,14,15)