4-methyl-2-[1,1,1-tris(chloranyl)decan-2-yl]benzenesulfonate

Systemtic Name: 4-methyl-2-[1,1,1-tris(chloranyl)decan-2-yl]benzenesulfonate Openeye Name: 4-methyl-2-[1-(trichloromethyl)nonyl]benzenesulfonate CAS Name: 4-methyl-2-(1,1,1-trichlorodecan-2-yl)benzenesulfonate IUPAC Name: 4-methyl-2-(1,1,1-trichlorodecan-2-yl)benzenesulfonate Traditional Name: 4-methyl-2-[1-(trichloromethyl)nonyl]besylate Formula: C17H24Cl3O3S- MolecularWeight: 414.79466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C1=C(C=CC(=C1)C)S(=O)(=O)[O-])C(Cl)(Cl)Cl

Isomeric SMILES

CCCCCCCCC(C1=C(C=CC(=C1)C)S(=O)(=O)[O-])C(Cl)(Cl)Cl

InChI

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