5-[(E)-3-(4-methylphenyl)sulfonylprop-1-enoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(E)-3-(4-methylphenyl)sulfonylprop-1-enoxy]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(E)-3-(p-tolylsulfonyl)prop-1-enoxy]benzoic acid CAS Name: 2-hydroxy-5-[(E)-3-(4-methylphenyl)sulfonylprop-1-enoxy]benzoic acid IUPAC Name: 2-hydroxy-5-[(E)-3-(4-methylphenyl)sulfonylprop-1-enoxy]benzoic acid Traditional Name: 2-hydroxy-5-[(E)-3-tosylprop-1-enoxy]benzoic acid Formula: C17H16O6S MolecularWeight: 348.37034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C/C=C/OC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C17H16O6S/c1-12-3-6-14(7-4-12)24(21,22)10-2-9-23-13-5-8-16(18)15(11-13)17(19)20/h2-9,11,18H,10H2,1H3,(H,19,20)/b9-2+