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

Systemtic Name: [6-phenylmethoxy-5-[(E)-prop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [6-benzyloxy-5-[(E)-prop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-phenylmethoxy-5-[(E)-prop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [6-phenylmethoxy-5-[(E)-prop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-benzoxy-5-[(E)-prop-1-enyl]-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:

CC=CC1=C(C=CC2=C1OC(CO2)COS(=O)(=O)C3=CC=C(C=C3)C)OCC4=CC=CC=C4

Isomeric SMILES

C/C=C/C1=C(C=CC2=C1OC(CO2)COS(=O)(=O)C3=CC=C(C=C3)C)OCC4=CC=CC=C4

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/h3-15,21H,16-18H2,1-2H3/b7-3+