4-[(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)methylsulfanyl]butanoic acid

Systemtic Name: 4-[(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)methylsulfanyl]butanoic acid Openeye Name: 4-[(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)methylsulfanyl]butanoic acid CAS Name: 4-[(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)methylthio]butanoic acid IUPAC Name: 4-[(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)methylsulfanyl]butanoic acid Traditional Name: 4-[(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)methylthio]butyric acid Formula: C15H18O6S MolecularWeight: 326.36482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CSCCCC(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)CSCCCC(=O)O)OC

InChI

InChI=1S/C15H18O6S/c1-8-9-6-21-15(19)12(9)13(18)10(14(8)20-2)7-22-5-3-4-11(16)17/h18H,3-7H2,1-2H3,(H,16,17)