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

Systemtic Name: [5-(3-oxidanylpropyl)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [6-benzyloxy-5-(3-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(3-hydroxypropyl)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [5-(3-hydroxypropyl)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-benzoxy-5-(3-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C26H28O7S MolecularWeight: 484.56132

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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)CCCO

Isomeric SMILES

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

InChI

InChI=1S/C26H28O7S/c1-19-9-11-22(12-10-19)34(28,29)32-18-21-17-31-25-14-13-24(23(8-5-15-27)26(25)33-21)30-16-20-6-3-2-4-7-20/h2-4,6-7,9-14,21,27H,5,8,15-18H2,1H3