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5-[3-[3-(4-methylphenyl)sulfonylpropoxy]-3-oxidanylidene-propoxy]-2-oxidanyl-benzoic acid

5-[3-[3-(4-methylphenyl)sulfonylpropoxy]-3-oxidanylidene-propoxy]-2-oxidanyl-benzoic acid

Systemtic Name:5-[3-[3-(4-methylphenyl)sulfonylpropoxy]-3-oxidanylidene-propoxy]-2-oxidanyl-benzoic acid
Openeye Name:2-hydroxy-5-[3-oxo-3-[3-(p-tolylsulfonyl)propoxy]propoxy]benzoic acid
CAS Name:2-hydroxy-5-[3-[3-(4-methylphenyl)sulfonylpropoxy]-3-oxopropoxy]benzoic acid
IUPAC Name:2-hydroxy-5-[3-[3-(4-methylphenyl)sulfonylpropoxy]-3-oxopropoxy]benzoic acid
Traditional Name:2-hydroxy-5-[3-keto-3-(3-tosylpropoxy)propoxy]benzoic acid
Formula: C20H22O8S
MolecularWeight: 422.44888
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCOC(=O)CCOC2=CC(=C(C=C2)O)C(=O)O


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCOC(=O)CCOC2=CC(=C(C=C2)O)C(=O)O


InChI

InChI=1S/C20H22O8S/c1-14-3-6-16(7-4-14)29(25,26)12-2-10-28-19(22)9-11-27-15-5-8-18(21)17(13-15)20(23)24/h3-8,13,21H,2,9-12H2,1H3,(H,23,24)


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