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5-[1-acetyloxy-3-(phenylsulfonyl)propoxy]-2-oxidanyl-benzoic acid

5-[1-acetyloxy-3-(phenylsulfonyl)propoxy]-2-oxidanyl-benzoic acid

Systemtic Name:5-[1-acetyloxy-3-(phenylsulfonyl)propoxy]-2-oxidanyl-benzoic acid
Openeye Name:5-[1-acetoxy-3-(benzenesulfonyl)propoxy]-2-hydroxy-benzoic acid
CAS Name:5-[1-acetyloxy-3-(benzenesulfonyl)propoxy]-2-hydroxybenzoic acid
IUPAC Name:5-[1-acetyloxy-3-(benzenesulfonyl)propoxy]-2-hydroxybenzoic acid
Traditional Name:5-(1-acetoxy-3-besyl-propoxy)-2-hydroxy-benzoic acid
Formula: C18H18O8S
MolecularWeight: 394.39572
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCS(=O)(=O)C1=CC=CC=C1)OC2=CC(=C(C=C2)O)C(=O)O


Isomeric SMILES

CC(=O)OC(CCS(=O)(=O)C1=CC=CC=C1)OC2=CC(=C(C=C2)O)C(=O)O


InChI

InChI=1S/C18H18O8S/c1-12(19)25-17(9-10-27(23,24)14-5-3-2-4-6-14)26-13-7-8-16(20)15(11-13)18(21)22/h2-8,11,17,20H,9-10H2,1H3,(H,21,22)


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