(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (6-chloro-4H-1,3-benzodioxin-8-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=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

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