methyl 3-[4-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2,5-bis(oxidanyl)phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2,5-bis(oxidanyl)phenyl]sulfanylpropanoate Openeye Name: methyl 3-[2,5-dihydroxy-4-(3-methoxy-3-oxo-propyl)sulfanyl-phenyl]sulfanylpropanoate CAS Name: 3-[[2,5-dihydroxy-4-[(3-methoxy-3-oxopropyl)thio]phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2,5-dihydroxy-4-(3-methoxy-3-oxopropyl)sulfanylphenyl]sulfanylpropanoate Traditional Name: 3-[[2,5-dihydroxy-4-[(3-keto-3-methoxy-propyl)thio]phenyl]thio]propionic acid methyl ester Formula: C14H18O6S2 MolecularWeight: 346.41912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=CC(=C(C=C1O)SCCC(=O)OC)O

Isomeric SMILES

COC(=O)CCSC1=CC(=C(C=C1O)SCCC(=O)OC)O

InChI

InChI=1S/C14H18O6S2/c1-19-13(17)3-5-21-11-7-10(16)12(8-9(11)15)22-6-4-14(18)20-2/h7-8,15-16H,3-6H2,1-2H3