3-methylbutyl 4-chloranyl-3-(3-methylbutylsulfonyl)benzoate

Systemtic Name: 3-methylbutyl 4-chloranyl-3-(3-methylbutylsulfonyl)benzoate Openeye Name: isopentyl 4-chloro-3-isopentylsulfonyl-benzoate CAS Name: 4-chloro-3-(3-methylbutylsulfonyl)benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-chloro-3-(3-methylbutylsulfonyl)benzoate Traditional Name: 4-chloro-3-isoamylsulfonyl-benzoic acid isoamyl ester Formula: C17H25ClO4S MolecularWeight: 360.896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)CCC(C)C

Isomeric SMILES

CC(C)CCOC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)CCC(C)C

InChI

InChI=1S/C17H25ClO4S/c1-12(2)7-9-22-17(19)14-5-6-15(18)16(11-14)23(20,21)10-8-13(3)4/h5-6,11-13H,7-10H2,1-4H3