4-[(E)-4-(4-methylphenyl)sulfonylbut-2-enoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(E)-4-(4-methylphenyl)sulfonylbut-2-enoxy]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[(E)-4-(p-tolylsulfonyl)but-2-enoxy]benzoic acid CAS Name: 2-hydroxy-4-[(E)-4-(4-methylphenyl)sulfonylbut-2-enoxy]benzoic acid IUPAC Name: 2-hydroxy-4-[(E)-4-(4-methylphenyl)sulfonylbut-2-enoxy]benzoic acid Traditional Name: 2-hydroxy-4-[(E)-4-tosylbut-2-enoxy]benzoic acid Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C/C=C/COC2=CC(=C(C=C2)C(=O)O)O

InChI

InChI=1S/C18H18O6S/c1-13-4-7-15(8-5-13)25(22,23)11-3-2-10-24-14-6-9-16(18(20)21)17(19)12-14/h2-9,12,19H,10-11H2,1H3,(H,20,21)/b3-2+