2,3-bis(3-methylbutyl)benzenesulfonic acid

Systemtic Name: 2,3-bis(3-methylbutyl)benzenesulfonic acid Openeye Name: 2,3-diisopentylbenzenesulfonic acid CAS Name: 2,3-bis(3-methylbutyl)benzenesulfonic acid IUPAC Name: 2,3-bis(3-methylbutyl)benzenesulfonic acid Traditional Name: 2,3-diisoamylbesylic acid Formula: C16H26O3S MolecularWeight: 298.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O3S/c1-12(2)8-10-14-6-5-7-16(20(17,18)19)15(14)11-9-13(3)4/h5-7,12-13H,8-11H2,1-4H3,(H,17,18,19)