2-(4-azanylphenoxy)-5-octyl-benzenesulfonic acid

Systemtic Name: 2-(4-azanylphenoxy)-5-octyl-benzenesulfonic acid Openeye Name: 2-(4-aminophenoxy)-5-octyl-benzenesulfonic acid CAS Name: 2-(4-aminophenoxy)-5-octylbenzenesulfonic acid IUPAC Name: 2-(4-aminophenoxy)-5-octylbenzenesulfonic acid Traditional Name: 2-(4-aminophenoxy)-5-octyl-besylic acid Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC2=CC=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC2=CC=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C20H27NO4S/c1-2-3-4-5-6-7-8-16-9-14-19(20(15-16)26(22,23)24)25-18-12-10-17(21)11-13-18/h9-15H,2-8,21H2,1H3,(H,22,23,24)