3-(4-methoxyphenyl)-3,4,6-tris(oxidanyl)-5-sulfanyl-hexan-2-one

Systemtic Name: 3-(4-methoxyphenyl)-3,4,6-tris(oxidanyl)-5-sulfanyl-hexan-2-one Openeye Name: 3,4,6-trihydroxy-3-(4-methoxyphenyl)-5-sulfanyl-hexan-2-one CAS Name: 3,4,6-trihydroxy-5-mercapto-3-(4-methoxyphenyl)-2-hexanone IUPAC Name: 3,4,6-trihydroxy-3-(4-methoxyphenyl)-5-sulfanylhexan-2-one Traditional Name: 3,4,6-trihydroxy-5-mercapto-3-(4-methoxyphenyl)hexan-2-one Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=C(C=C1)OC)(C(C(CO)S)O)O

Isomeric SMILES

CC(=O)C(C1=CC=C(C=C1)OC)(C(C(CO)S)O)O

InChI

InChI=1S/C13H18O5S/c1-8(15)13(17,12(16)11(19)7-14)9-3-5-10(18-2)6-4-9/h3-6,11-12,14,16-17,19H,7H2,1-2H3