3-(2-butoxyethyl)-4-methyl-benzenesulfonate

Systemtic Name: 3-(2-butoxyethyl)-4-methyl-benzenesulfonate Openeye Name: 3-(2-butoxyethyl)-4-methyl-benzenesulfonate CAS Name: 3-(2-butoxyethyl)-4-methylbenzenesulfonate IUPAC Name: 3-(2-butoxyethyl)-4-methylbenzenesulfonate Traditional Name: 3-(2-butoxyethyl)-4-methyl-besylate Formula: C13H19O4S- MolecularWeight: 271.35256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC1=C(C=CC(=C1)S(=O)(=O)[O-])C

Isomeric SMILES

CCCCOCCC1=C(C=CC(=C1)S(=O)(=O)[O-])C

InChI

InChI=1S/C13H20O4S/c1-3-4-8-17-9-7-12-10-13(18(14,15)16)6-5-11(12)2/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,15,16)/p-1