3-[5-(methylsulfonyloxymethyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[5-(methylsulfonyloxymethyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 3-[[5-(methylsulfonyloxymethyl)-1,4-dioxo-2-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[5-(methylsulfonyloxymethyl)-1,4-dioxo-2-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[5-(methylsulfonyloxymethyl)-1,4-dioxonaphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[1,4-diketo-5-(methylsulfonyloxymethyl)-2-naphthyl]thio]propionic acid Formula: C15H14O7S2 MolecularWeight: 370.39746

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1=CC=CC2=C1C(=O)C=C(C2=O)SCCC(=O)O

Isomeric SMILES

CS(=O)(=O)OCC1=CC=CC2=C1C(=O)C=C(C2=O)SCCC(=O)O

InChI

InChI=1S/C15H14O7S2/c1-24(20,21)22-8-9-3-2-4-10-14(9)11(16)7-12(15(10)19)23-6-5-13(17)18/h2-4,7H,5-6,8H2,1H3,(H,17,18)