(6-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (6-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-allyl-6-benzyloxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester IUPAC Name: (6-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-allyl-6-benzoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester Formula: C26H26O6S MolecularWeight: 466.54604

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C26H26O6S/c1-3-7-23-24(29-16-20-8-5-4-6-9-20)14-15-25-26(23)32-21(17-30-25)18-31-33(27,28)22-12-10-19(2)11-13-22/h3-6,8-15,21H,1,7,16-18H2,2H3