4-methyl-2-[7-(trioxidanyl)heptan-2-yl]benzenesulfonate

Systemtic Name: 4-methyl-2-[7-(trioxidanyl)heptan-2-yl]benzenesulfonate Openeye Name: 4-methyl-2-[1-methyl-6-(trioxidanyl)hexyl]benzenesulfonate CAS Name: 4-methyl-2-[7-(trioxidanyl)heptan-2-yl]benzenesulfonate IUPAC Name: 4-methyl-2-[7-(trioxidanyl)heptan-2-yl]benzenesulfonate Traditional Name: 4-methyl-2-[1-methyl-6-(trioxidanyl)hexyl]besylate Formula: C14H21O6S- MolecularWeight: 317.37794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O6S/c1-11-7-8-14(21(16,17)18)13(10-11)12(2)6-4-3-5-9-19-20-15/h7-8,10,12,15H,3-6,9H2,1-2H3,(H,16,17,18)/p-1