3-[2-sulfo-4-(trioxidanylsulfanyl)phenyl]propanoic acid

Systemtic Name: 3-[2-sulfo-4-(trioxidanylsulfanyl)phenyl]propanoic acid Openeye Name: 3-[2-sulfo-4-(trioxidanylsulfanyl)phenyl]propanoic acid CAS Name: 3-[2-sulfo-4-(trioxidanylthio)phenyl]propanoic acid IUPAC Name: 3-[2-sulfo-4-(trioxidanylsulfanyl)phenyl]propanoic acid Traditional Name: 3-[2-sulfo-4-(trioxidanylthio)phenyl]propionic acid Formula: C9H10O8S2 MolecularWeight: 310.3009

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SOOO)S(=O)(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1SOOO)S(=O)(=O)O)CCC(=O)O

InChI

InChI=1S/C9H10O8S2/c10-9(11)4-2-6-1-3-7(18-17-16-12)5-8(6)19(13,14)15/h1,3,5,12H,2,4H2,(H,10,11)(H,13,14,15)