[3-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethylsulfonyl]-4-methylsulfonyloxy-butyl] methanesulfonate

Systemtic Name: [3-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethylsulfonyl]-4-methylsulfonyloxy-butyl] methanesulfonate Openeye Name: [3-[2-(4-chloro-3,5-dimethyl-phenoxy)ethylsulfonyl]-4-methylsulfonyloxy-butyl] methanesulfonate CAS Name: methanesulfonic acid [3-[2-(4-chloro-3,5-dimethylphenoxy)ethylsulfonyl]-4-methylsulfonyloxybutyl] ester IUPAC Name: [3-[2-(4-chloro-3,5-dimethylphenoxy)ethylsulfonyl]-4-methylsulfonyloxybutyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[2-(4-chloro-3,5-dimethyl-phenoxy)ethylsulfonyl]-4-methylsulfonyloxy-butyl] ester Formula: C16H25ClO9S3 MolecularWeight: 493.0123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCS(=O)(=O)C(CCOS(=O)(=O)C)COS(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCS(=O)(=O)C(CCOS(=O)(=O)C)COS(=O)(=O)C

InChI

InChI=1S/C16H25ClO9S3/c1-12-9-14(10-13(2)16(12)17)24-7-8-29(22,23)15(11-26-28(4,20)21)5-6-25-27(3,18)19/h9-10,15H,5-8,11H2,1-4H3