4-(3-methoxybutyl)benzenesulfonic acid

Systemtic Name: 4-(3-methoxybutyl)benzenesulfonic acid Openeye Name: 4-(3-methoxybutyl)benzenesulfonic acid CAS Name: 4-(3-methoxybutyl)benzenesulfonic acid IUPAC Name: 4-(3-methoxybutyl)benzenesulfonic acid Traditional Name: 4-(3-methoxybutyl)besylic acid Formula: C11H16O4S MolecularWeight: 244.30734

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)S(=O)(=O)O)OC

Isomeric SMILES

CC(CCC1=CC=C(C=C1)S(=O)(=O)O)OC

InChI

InChI=1S/C11H16O4S/c1-9(15-2)3-4-10-5-7-11(8-6-10)16(12,13)14/h5-9H,3-4H2,1-2H3,(H,12,13,14)