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

Systemtic Name: methyl 4-methyl-2-[5-(3-oxidanylpropyl)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]benzenesulfonate Openeye Name: methyl 2-[6-benzyloxy-5-(3-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-benzenesulfonate CAS Name: 2-[5-(3-hydroxypropyl)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methylbenzenesulfonic acid methyl ester IUPAC Name: methyl 2-[5-(3-hydroxypropyl)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methylbenzenesulfonate Traditional Name: 2-[6-benzoxy-5-(3-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-benzenesulfonic acid 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)OC)C2COC3=C(O2)C(=C(C=C3)OCC4=CC=CC=C4)CCCO

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC)C2COC3=C(O2)C(=C(C=C3)OCC4=CC=CC=C4)CCCO

InChI

InChI=1S/C26H28O7S/c1-18-10-13-25(34(28,29)30-2)21(15-18)24-17-32-23-12-11-22(20(9-6-14-27)26(23)33-24)31-16-19-7-4-3-5-8-19/h3-5,7-8,10-13,15,24,27H,6,9,14,16-17H2,1-2H3