3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]sulfanylbenzoic acid

Systemtic Name: 3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]sulfanylbenzoic acid Openeye Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]sulfanylbenzoic acid CAS Name: 3-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]thio]benzoic acid IUPAC Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]sulfanylbenzoic acid Traditional Name: 3-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]thio]benzoic acid Formula: C21H24O6S MolecularWeight: 404.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CSC2=CC=CC(=C2)C(=O)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CSC2=CC=CC(=C2)C(=O)O)O

InChI

InChI=1S/C21H24O6S/c1-3-5-18-19(9-8-17(13(2)22)20(18)24)27-11-15(23)12-28-16-7-4-6-14(10-16)21(25)26/h4,6-10,15,23-24H,3,5,11-12H2,1-2H3,(H,25,26)