2-(5-methoxyhexyl)-4-methyl-benzenesulfonate

Systemtic Name: 2-(5-methoxyhexyl)-4-methyl-benzenesulfonate Openeye Name: 2-(5-methoxyhexyl)-4-methyl-benzenesulfonate CAS Name: 2-(5-methoxyhexyl)-4-methylbenzenesulfonate IUPAC Name: 2-(5-methoxyhexyl)-4-methylbenzenesulfonate Traditional Name: 2-(5-methoxyhexyl)-4-methyl-besylate Formula: C14H21O4S- MolecularWeight: 285.37914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O4S/c1-11-8-9-14(19(15,16)17)13(10-11)7-5-4-6-12(2)18-3/h8-10,12H,4-7H2,1-3H3,(H,15,16,17)/p-1