2-(carboxymethyl)-3-octylsulfanyl-thiirane-2-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-3-octylsulfanyl-thiirane-2-carboxylic acid Openeye Name: 2-(carboxymethyl)-3-octylsulfanyl-thiirane-2-carboxylic acid CAS Name: 2-(carboxymethyl)-3-(octylthio)-2-thiiranecarboxylic acid IUPAC Name: 2-(carboxymethyl)-3-octylsulfanylthiirane-2-carboxylic acid Traditional Name: 2-(carboxymethyl)-3-(octylthio)thiirane-2-carboxylic acid Formula: C13H22O4S2 MolecularWeight: 306.44138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1C(S1)(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCSC1C(S1)(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H22O4S2/c1-2-3-4-5-6-7-8-18-12-13(19-12,11(16)17)9-10(14)15/h12H,2-9H2,1H3,(H,14,15)(H,16,17)