3-[3-[(4-methylphenyl)sulfonyloxymethyl]-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid

Systemtic Name: 3-[3-[(4-methylphenyl)sulfonyloxymethyl]-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid Openeye Name: 3-[6-benzyloxy-3-(p-tolylsulfonyloxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid CAS Name: 3-[3-[(4-methylphenyl)sulfonyloxymethyl]-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid IUPAC Name: 3-[3-[(4-methylphenyl)sulfonyloxymethyl]-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid Traditional Name: 3-[6-benzoxy-3-(tosyloxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propionic acid Formula: C26H26O8S MolecularWeight: 498.54484

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H26O8S/c1-18-7-9-21(10-8-18)35(29,30)33-17-20-16-32-24-13-12-23(31-15-19-5-3-2-4-6-19)22(26(24)34-20)11-14-25(27)28/h2-10,12-13,20H,11,14-17H2,1H3,(H,27,28)