2-(2-butoxyethyl)-4-methyl-benzenesulfonic acid

Systemtic Name: 2-(2-butoxyethyl)-4-methyl-benzenesulfonic acid Openeye Name: 2-(2-butoxyethyl)-4-methyl-benzenesulfonic acid CAS Name: 2-(2-butoxyethyl)-4-methylbenzenesulfonic acid IUPAC Name: 2-(2-butoxyethyl)-4-methylbenzenesulfonic acid Traditional Name: 2-(2-butoxyethyl)-4-methyl-besylic acid Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC1=C(C=CC(=C1)C)S(=O)(=O)O

Isomeric SMILES

CCCCOCCC1=C(C=CC(=C1)C)S(=O)(=O)O

InChI

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