2-chloranyl-4-methyl-6-(6-oxidanylhexyl)benzenesulfonate

Systemtic Name: 2-chloranyl-4-methyl-6-(6-oxidanylhexyl)benzenesulfonate Openeye Name: 2-chloro-6-(6-hydroxyhexyl)-4-methyl-benzenesulfonate CAS Name: 2-chloro-6-(6-hydroxyhexyl)-4-methylbenzenesulfonate IUPAC Name: 2-chloro-6-(6-hydroxyhexyl)-4-methylbenzenesulfonate Traditional Name: 2-chloro-6-(6-hydroxyhexyl)-4-methyl-besylate Formula: C13H18ClO4S- MolecularWeight: 305.79762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)S(=O)(=O)[O-])CCCCCCO

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)S(=O)(=O)[O-])CCCCCCO

InChI

InChI=1S/C13H19ClO4S/c1-10-8-11(6-4-2-3-5-7-15)13(12(14)9-10)19(16,17)18/h8-9,15H,2-7H2,1H3,(H,16,17,18)/p-1