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

Systemtic Name: 3-[5-[(4-methylphenyl)sulfonyloxymethyl]-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 3-[[1,4-dioxo-5-(p-tolylsulfonyloxymethyl)-2-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[5-[(4-methylphenyl)sulfonyloxymethyl]-1,4-dioxo-2-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[5-[(4-methylphenyl)sulfonyloxymethyl]-1,4-dioxonaphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[1,4-diketo-5-(tosyloxymethyl)-2-naphthyl]thio]propionic acid Formula: C21H18O7S2 MolecularWeight: 446.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC3=C2C(=O)C=C(C3=O)SCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC3=C2C(=O)C=C(C3=O)SCCC(=O)O

InChI

InChI=1S/C21H18O7S2/c1-13-5-7-15(8-6-13)30(26,27)28-12-14-3-2-4-16-20(14)17(22)11-18(21(16)25)29-10-9-19(23)24/h2-8,11H,9-10,12H2,1H3,(H,23,24)