2-[1,1,1-tris(2-oxidanylethanoyloxy)hexan-2-ylsulfanyl]benzoic acid

Systemtic Name: 2-[1,1,1-tris(2-oxidanylethanoyloxy)hexan-2-ylsulfanyl]benzoic acid Openeye Name: 2-[1-[tris[(2-hydroxyacetyl)oxy]methyl]pentylsulfanyl]benzoic acid CAS Name: 2-[1,1,1-tris(2-hydroxy-1-oxoethoxy)hexan-2-ylthio]benzoic acid IUPAC Name: 2-[1,1,1-tris[(2-hydroxyacetyl)oxy]hexan-2-ylsulfanyl]benzoic acid Traditional Name: 2-[1-(triglycoloyloxymethyl)pentylthio]benzoic acid Formula: C19H24O11S MolecularWeight: 460.45226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(OC(=O)CO)(OC(=O)CO)OC(=O)CO)SC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCC(C(OC(=O)CO)(OC(=O)CO)OC(=O)CO)SC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C19H24O11S/c1-2-3-8-14(31-13-7-5-4-6-12(13)18(26)27)19(28-15(23)9-20,29-16(24)10-21)30-17(25)11-22/h4-7,14,20-22H,2-3,8-11H2,1H3,(H,26,27)