3-acetyloxy-4-[2-(4-methylphenyl)sulfonylethoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 3-acetyloxy-4-[2-(4-methylphenyl)sulfonylethoxy]-2-oxidanyl-benzoic acid Openeye Name: 3-acetoxy-2-hydroxy-4-[2-(p-tolylsulfonyl)ethoxy]benzoic acid CAS Name: 3-acetyloxy-2-hydroxy-4-[2-(4-methylphenyl)sulfonylethoxy]benzoic acid IUPAC Name: 3-acetyloxy-2-hydroxy-4-[2-(4-methylphenyl)sulfonylethoxy]benzoic acid Traditional Name: 3-acetoxy-2-hydroxy-4-(2-tosylethoxy)benzoic acid Formula: C18H18O8S MolecularWeight: 394.39572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O8S/c1-11-3-5-13(6-4-11)27(23,24)10-9-25-15-8-7-14(18(21)22)16(20)17(15)26-12(2)19/h3-8,20H,9-10H2,1-2H3,(H,21,22)