4-(3-methylbutyl)benzenesulfonic acid

Systemtic Name: 4-(3-methylbutyl)benzenesulfonic acid Openeye Name: 4-isopentylbenzenesulfonic acid CAS Name: 4-(3-methylbutyl)benzenesulfonic acid IUPAC Name: 4-(3-methylbutyl)benzenesulfonic acid Traditional Name: 4-isoamylbesylic acid Formula: C11H16O3S MolecularWeight: 228.30794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O3S/c1-9(2)3-4-10-5-7-11(8-6-10)15(12,13)14/h5-9H,3-4H2,1-2H3,(H,12,13,14)