2-[2-(6-methylheptoxy)-1-oxidanyl-2-oxidanylidene-ethyl]sulfanyl-2-oxidanyl-ethanoic acid

Systemtic Name: 2-[2-(6-methylheptoxy)-1-oxidanyl-2-oxidanylidene-ethyl]sulfanyl-2-oxidanyl-ethanoic acid Openeye Name: 2-hydroxy-2-[1-hydroxy-2-(6-methylheptoxy)-2-oxo-ethyl]sulfanyl-acetic acid CAS Name: 2-hydroxy-2-[[1-hydroxy-2-(6-methylheptoxy)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-hydroxy-2-[1-hydroxy-2-(6-methylheptoxy)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-hydroxy-2-[[1-hydroxy-2-keto-2-(6-methylheptoxy)ethyl]thio]acetic acid Formula: C12H22O6S MolecularWeight: 294.36448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C(O)SC(C(=O)O)O

Isomeric SMILES

CC(C)CCCCCOC(=O)C(O)SC(C(=O)O)O

InChI

InChI=1S/C12H22O6S/c1-8(2)6-4-3-5-7-18-10(15)12(17)19-11(16)9(13)14/h8,11-12,16-17H,3-7H2,1-2H3,(H,13,14)