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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C18H16Cl2O6S MolecularWeight: 431.28704

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)Cl

InChI

InChI=1S/C18H16Cl2O6S/c1-27(22,23)16-9-12(3-4-13(16)19)18(21)26-10-11-7-14(20)17-15(8-11)24-5-2-6-25-17/h3-4,7-9H,2,5-6,10H2,1H3