2-[6,7-bis(chloranyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[6,7-bis(chloranyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)ethyl ester IUPAC Name: 2-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)ethyl ester Formula: C17H16Cl2O5S MolecularWeight: 403.27694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2COC3=CC(=C(C=C3O2)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2COC3=CC(=C(C=C3O2)Cl)Cl

InChI

InChI=1S/C17H16Cl2O5S/c1-11-2-4-13(5-3-11)25(20,21)23-7-6-12-10-22-16-8-14(18)15(19)9-17(16)24-12/h2-5,8-9,12H,6-7,10H2,1H3