[2-(1,5-dihydro-2,4-benzodioxepin-3-yl)-2-oxidanyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(1,5-dihydro-2,4-benzodioxepin-3-yl)-2-oxidanyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(1,5-dihydro-2,4-benzodioxepin-3-yl)-2-hydroxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1,5-dihydro-2,4-benzodioxepin-3-yl)-2-hydroxyethyl] ester IUPAC Name: [2-(1,5-dihydro-2,4-benzodioxepin-3-yl)-2-hydroxyethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1,5-dihydro-2,4-benzodioxepin-3-yl)-2-hydroxy-ethyl] ester Formula: C18H20O6S MolecularWeight: 364.4128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2OCC3=CC=CC=C3CO2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2OCC3=CC=CC=C3CO2)O

InChI

InChI=1S/C18H20O6S/c1-13-6-8-16(9-7-13)25(20,21)24-12-17(19)18-22-10-14-4-2-3-5-15(14)11-23-18/h2-9,17-19H,10-12H2,1H3