(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H17ClO6S MolecularWeight: 396.84198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C18H17ClO6S/c1-11-3-4-13(26(2,21)22)9-14(11)18(20)25-10-12-7-15(19)17-16(8-12)23-5-6-24-17/h3-4,7-9H,5-6,10H2,1-2H3