5-[(4-carboxylato-5-methyl-furan-2-yl)methylsulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: 5-[(4-carboxylato-5-methyl-furan-2-yl)methylsulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: 5-[(4-carboxylato-5-methyl-2-furyl)methylsulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[(4-carboxylato-5-methyl-2-furanyl)methylthio]methyl]-2-methyl-3-furancarboxylate IUPAC Name: 5-[(4-carboxylato-5-methylfuran-2-yl)methylsulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(4-carboxylato-5-methyl-2-furyl)methylthio]methyl]-2-methyl-3-furoate Formula: C14H12O6S-2 MolecularWeight: 308.30648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSCC2=CC(=C(O2)C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(O1)CSCC2=CC(=C(O2)C)C(=O)[O-])C(=O)[O-]

InChI

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