1-[4-methylsulfanyl-1,1-bis(oxidanyl)butan-2-yl]pyrrole-2,5-dione

Systemtic Name: 1-[4-methylsulfanyl-1,1-bis(oxidanyl)butan-2-yl]pyrrole-2,5-dione Openeye Name: 1-[1-(dihydroxymethyl)-3-methylsulfanyl-propyl]pyrrole-2,5-dione CAS Name: 1-[1,1-dihydroxy-4-(methylthio)butan-2-yl]pyrrole-2,5-dione IUPAC Name: 1-(1,1-dihydroxy-4-methylsulfanylbutan-2-yl)pyrrole-2,5-dione Traditional Name: 1-[1-(dihydroxymethyl)-3-(methylthio)propyl]-3-pyrroline-2,5-quinone Formula: C9H13NO4S MolecularWeight: 231.26882

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(O)O)N1C(=O)C=CC1=O

Isomeric SMILES

CSCCC(C(O)O)N1C(=O)C=CC1=O

InChI

InChI=1S/C9H13NO4S/c1-15-5-4-6(9(13)14)10-7(11)2-3-8(10)12/h2-3,6,9,13-14H,4-5H2,1H3