3-(4-butylphenyl)benzenesulfonic acid

Systemtic Name: 3-(4-butylphenyl)benzenesulfonic acid Openeye Name: 3-(4-butylphenyl)benzenesulfonic acid CAS Name: 3-(4-butylphenyl)benzenesulfonic acid IUPAC Name: 3-(4-butylphenyl)benzenesulfonic acid Traditional Name: 3-(4-butylphenyl)besylic acid Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C16H18O3S/c1-2-3-5-13-8-10-14(11-9-13)15-6-4-7-16(12-15)20(17,18)19/h4,6-12H,2-3,5H2,1H3,(H,17,18,19)