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

Systemtic Name: 2-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethylsulfanyl]benzoic acid Openeye Name: 2-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethylsulfanyl]benzoic acid CAS Name: 2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethylthio]benzoic acid IUPAC Name: 2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethylsulfanyl]benzoic acid Traditional Name: 2-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethylthio]benzoic acid Formula: C20H22O5S MolecularWeight: 374.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C20H22O5S/c1-3-6-15-17(10-9-14(13(2)21)19(15)22)25-11-12-26-18-8-5-4-7-16(18)20(23)24/h4-5,7-10,22H,3,6,11-12H2,1-2H3,(H,23,24)