3-nonyl-2-phenyl-benzenesulfonic acid

Systemtic Name: 3-nonyl-2-phenyl-benzenesulfonic acid Openeye Name: 3-nonyl-2-phenyl-benzenesulfonic acid CAS Name: 3-nonyl-2-phenylbenzenesulfonic acid IUPAC Name: 3-nonyl-2-phenylbenzenesulfonic acid Traditional Name: 3-nonyl-2-phenyl-besylic acid Formula: C21H28O3S MolecularWeight: 360.51022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H28O3S/c1-2-3-4-5-6-7-9-13-19-16-12-17-20(25(22,23)24)21(19)18-14-10-8-11-15-18/h8,10-12,14-17H,2-7,9,13H2,1H3,(H,22,23,24)