3-heptyl-2-propyl-benzenesulfonic acid

Systemtic Name: 3-heptyl-2-propyl-benzenesulfonic acid Openeye Name: 3-heptyl-2-propyl-benzenesulfonic acid CAS Name: 3-heptyl-2-propylbenzenesulfonic acid IUPAC Name: 3-heptyl-2-propylbenzenesulfonic acid Traditional Name: 3-heptyl-2-propyl-besylic acid Formula: C16H26O3S MolecularWeight: 298.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)CCC

Isomeric SMILES

CCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)CCC

InChI

InChI=1S/C16H26O3S/c1-3-5-6-7-8-11-14-12-9-13-16(20(17,18)19)15(14)10-4-2/h9,12-13H,3-8,10-11H2,1-2H3,(H,17,18,19)