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4-Hydroxy-5-[(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thiophenyl)-[4-(methylthio)phenyl]methyl]-2-methyl-3-thiophenecarboxylic acid methyl ester
SpectraBase Compound ID Bg6nL8859eR
InChI InChI=1S/C22H22O6S3/c1-10-14(21(25)27-3)17(23)19(30-10)16(12-6-8-13(29-5)9-7-12)20-18(24)15(11(2)31-20)22(26)28-4/h6-9,16,23-24H,1-5H3
InChIKey CLGWOJDHXMPOOY-UHFFFAOYSA-N
Mol Weight 478.59 g/mol
Molecular Formula C22H22O6S3
Exact Mass 478.057852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azu0k4THk00
Name 4-Hydroxy-5-[(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thiophenyl)-[4-(methylthio)phenyl]methyl]-2-methyl-3-thiophenecarboxylic acid methyl ester
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Formula C22H22O6S3
InChI InChI=1S/C22H22O6S3/c1-10-14(21(25)27-3)17(23)19(30-10)16(12-6-8-13(29-5)9-7-12)20-18(24)15(11(2)31-20)22(26)28-4/h6-9,16,23-24H,1-5H3
InChIKey CLGWOJDHXMPOOY-UHFFFAOYSA-N
Molecular Weight 478.592 g/mol
SMILES Oc1c(C(c2sc(c(c2O)C(=O)OC)C)c2ccc(cc2)SC)sc(c1C(=O)OC)C
SPLASH splash10-066r-9532000000-798118e0eeac02f98103
Synonyms 5-[(4-carbomethoxy-3-hydroxy-5-methyl-2-thienyl)-[4-(methylthio)phenyl]methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylic acid methyl ester Methyl 4-hydroxy-5-[(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thienyl)-(4-methylsulfanylphenyl)methyl]-2-methyl-thiophene-3-carboxylate Methyl 4-hydroxy-5-[(3-hydroxy-4-methoxycarbonyl-5-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methyl]-2-methylthiophene-3-carboxylate Methyl 5-[(4-methoxycarbonyl-5-methyl-3-oxidanyl-thiophen-2-yl)-(4-methylsulfanylphenyl)methyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate
Wiley ID 1512186