2-(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-propyl)-5-(trioxidanylsulfanyl)benzenesulfonic acid

Systemtic Name: 2-(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-propyl)-5-(trioxidanylsulfanyl)benzenesulfonic acid Openeye Name: 2-(3-methoxy-2-methoxycarbonyl-3-oxo-propyl)-5-(trioxidanylsulfanyl)benzenesulfonic acid CAS Name: 2-(3-methoxy-2-methoxycarbonyl-3-oxopropyl)-5-(trioxidanylthio)benzenesulfonic acid IUPAC Name: 2-(3-methoxy-2-methoxycarbonyl-3-oxopropyl)-5-(trioxidanylsulfanyl)benzenesulfonic acid Traditional Name: 2-(2-carbomethoxy-3-keto-3-methoxy-propyl)-5-(trioxidanylthio)besylic acid Formula: C12H14O10S2 MolecularWeight: 382.36356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=C(C=C(C=C1)SOOO)S(=O)(=O)O)C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=C(C=C(C=C1)SOOO)S(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C12H14O10S2/c1-19-11(13)9(12(14)20-2)5-7-3-4-8(23-22-21-15)6-10(7)24(16,17)18/h3-4,6,9,15H,5H2,1-2H3,(H,16,17,18)