2-(hexylsulfanylmethyl)-5-oxidanylidene-cyclopentane-1-carboxylic acid

Systemtic Name: 2-(hexylsulfanylmethyl)-5-oxidanylidene-cyclopentane-1-carboxylic acid Openeye Name: 2-(hexylsulfanylmethyl)-5-oxo-cyclopentanecarboxylic acid CAS Name: 2-[(hexylthio)methyl]-5-oxo-1-cyclopentanecarboxylic acid IUPAC Name: 2-(hexylsulfanylmethyl)-5-oxocyclopentane-1-carboxylic acid Traditional Name: 2-[(hexylthio)methyl]-5-keto-cyclopentanecarboxylic acid Formula: C13H22O3S MolecularWeight: 258.37698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC1CCC(=O)C1C(=O)O

Isomeric SMILES

CCCCCCSCC1CCC(=O)C1C(=O)O

InChI

InChI=1S/C13H22O3S/c1-2-3-4-5-8-17-9-10-6-7-11(14)12(10)13(15)16/h10,12H,2-9H2,1H3,(H,15,16)