(6-chloranyl-3-methyl-2H-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (6-chloranyl-3-methyl-2H-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (6-chloro-3-methyl-2H-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-chloro-3-methyl-2H-1,4-benzodioxin-3-yl)methyl ester IUPAC Name: (6-chloro-3-methyl-2H-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-chloro-3-methyl-2H-1,4-benzodioxin-3-yl)methyl ester Formula: C17H17ClO5S MolecularWeight: 368.83188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(COC3=C(O2)C=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(COC3=C(O2)C=C(C=C3)Cl)C

InChI

InChI=1S/C17H17ClO5S/c1-12-3-6-14(7-4-12)24(19,20)22-11-17(2)10-21-15-8-5-13(18)9-16(15)23-17/h3-9H,10-11H2,1-2H3