2-[(5-carboxylato-2-methyl-furan-3-yl)methylsulfanylmethyl]-5-methyl-furan-3-carboxylate

Systemtic Name: 2-[(5-carboxylato-2-methyl-furan-3-yl)methylsulfanylmethyl]-5-methyl-furan-3-carboxylate Openeye Name: 2-[(5-carboxylato-2-methyl-3-furyl)methylsulfanylmethyl]-5-methyl-furan-3-carboxylate CAS Name: 2-[[(5-carboxylato-2-methyl-3-furanyl)methylthio]methyl]-5-methyl-3-furancarboxylate IUPAC Name: 2-[(5-carboxylato-2-methylfuran-3-yl)methylsulfanylmethyl]-5-methylfuran-3-carboxylate Traditional Name: 2-[[(5-carboxylato-2-methyl-3-furyl)methylthio]methyl]-5-methyl-3-furoate Formula: C14H12O6S-2 MolecularWeight: 308.30648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)CSCC2=C(OC(=C2)C(=O)[O-])C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(O1)CSCC2=C(OC(=C2)C(=O)[O-])C)C(=O)[O-]

InChI

InChI=1S/C14H14O6S/c1-7-3-10(13(15)16)12(19-7)6-21-5-9-4-11(14(17)18)20-8(9)2/h3-4H,5-6H2,1-2H3,(H,15,16)(H,17,18)/p-2