3-[5-(methylsulfanylmethyl)furan-2-yl]-3,7-bis(oxidanyl)oxepane-2,4-dione

Systemtic Name: 3-[5-(methylsulfanylmethyl)furan-2-yl]-3,7-bis(oxidanyl)oxepane-2,4-dione Openeye Name: 3,7-dihydroxy-3-[5-(methylsulfanylmethyl)-2-furyl]oxepane-2,4-dione CAS Name: 3,7-dihydroxy-3-[5-[(methylthio)methyl]-2-furanyl]oxepane-2,4-dione IUPAC Name: 3,7-dihydroxy-3-[5-(methylsulfanylmethyl)furan-2-yl]oxepane-2,4-dione Traditional Name: 3,7-dihydroxy-3-[5-[(methylthio)methyl]-2-furyl]oxepane-2,4-quinone Formula: C12H14O6S MolecularWeight: 286.30096

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)C2(C(=O)CCC(OC2=O)O)O

Isomeric SMILES

CSCC1=CC=C(O1)C2(C(=O)CCC(OC2=O)O)O

InChI

InChI=1S/C12H14O6S/c1-19-6-7-2-4-9(17-7)12(16)8(13)3-5-10(14)18-11(12)15/h2,4,10,14,16H,3,5-6H2,1H3