1,1,1-tris(chloranyl)decan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1,1,1-tris(chloranyl)decan-2-yl 4-methylbenzenesulfonate Openeye Name: 1-(trichloromethyl)nonyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,1,1-trichlorodecan-2-yl ester IUPAC Name: 1,1,1-trichlorodecan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-(trichloromethyl)nonyl ester Formula: C17H25Cl3O3S MolecularWeight: 415.8026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(Cl)(Cl)Cl)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCC(C(Cl)(Cl)Cl)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C17H25Cl3O3S/c1-3-4-5-6-7-8-9-16(17(18,19)20)23-24(21,22)15-12-10-14(2)11-13-15/h10-13,16H,3-9H2,1-2H3