2-octyl-6-phenyl-benzenesulfonic acid

Systemtic Name: 2-octyl-6-phenyl-benzenesulfonic acid Openeye Name: 2-octyl-6-phenyl-benzenesulfonic acid CAS Name: 2-octyl-6-phenylbenzenesulfonic acid IUPAC Name: 2-octyl-6-phenylbenzenesulfonic acid Traditional Name: 2-octyl-6-phenyl-besylic acid Formula: C20H26O3S MolecularWeight: 346.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC(=C1S(=O)(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=CC=CC(=C1S(=O)(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C20H26O3S/c1-2-3-4-5-6-8-14-18-15-11-16-19(20(18)24(21,22)23)17-12-9-7-10-13-17/h7,9-13,15-16H,2-6,8,14H2,1H3,(H,21,22,23)