1-[4-[3-(4-methyl-3-oxidanyl-phenyl)sulfanyl-2-oxidanyl-propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[4-[3-(4-methyl-3-oxidanyl-phenyl)sulfanyl-2-oxidanyl-propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[2-hydroxy-4-[2-hydroxy-3-(3-hydroxy-4-methyl-phenyl)sulfanyl-propoxy]-3-propyl-phenyl]ethanone CAS Name: 1-[2-hydroxy-4-[2-hydroxy-3-[(3-hydroxy-4-methylphenyl)thio]propoxy]-3-propylphenyl]ethanone IUPAC Name: 1-[2-hydroxy-4-[2-hydroxy-3-(3-hydroxy-4-methylphenyl)sulfanylpropoxy]-3-propylphenyl]ethanone Traditional Name: 1-[2-hydroxy-4-[2-hydroxy-3-[(3-hydroxy-4-methyl-phenyl)thio]propoxy]-3-propyl-phenyl]ethanone Formula: C21H26O5S MolecularWeight: 390.49314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O5S/c1-4-5-18-20(9-8-17(14(3)22)21(18)25)26-11-15(23)12-27-16-7-6-13(2)19(24)10-16/h6-10,15,23-25H,4-5,11-12H2,1-3H3