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

Systemtic Name: 4-methyl-2-(6-oxidanylhexyl)benzenesulfonate Openeye Name: 2-(6-hydroxyhexyl)-4-methyl-benzenesulfonate CAS Name: 2-(6-hydroxyhexyl)-4-methylbenzenesulfonate IUPAC Name: 2-(6-hydroxyhexyl)-4-methylbenzenesulfonate Traditional Name: 2-(6-hydroxyhexyl)-4-methyl-besylate Formula: C13H19O4S- MolecularWeight: 271.35256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4S/c1-11-7-8-13(18(15,16)17)12(10-11)6-4-2-3-5-9-14/h7-8,10,14H,2-6,9H2,1H3,(H,15,16,17)/p-1