3-[(4-methylphenyl)sulfonyloxymethyl]-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

Systemtic Name: 3-[(4-methylphenyl)sulfonyloxymethyl]-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid Openeye Name: 6-benzyloxy-3-(p-tolylsulfonyloxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid CAS Name: 3-[(4-methylphenyl)sulfonyloxymethyl]-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid IUPAC Name: 3-[(4-methylphenyl)sulfonyloxymethyl]-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid Traditional Name: 6-benzoxy-3-(tosyloxymethyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid Formula: C24H22O8S MolecularWeight: 470.49168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C(=C(C=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C(=C(C=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H22O8S/c1-16-7-9-19(10-8-16)33(27,28)31-15-18-14-30-21-12-11-20(22(24(25)26)23(21)32-18)29-13-17-5-3-2-4-6-17/h2-12,18H,13-15H2,1H3,(H,25,26)