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

Systemtic Name: 2-(4-nitrophenoxy)-5-octyl-benzenesulfonic acid Openeye Name: 2-(4-nitrophenoxy)-5-octyl-benzenesulfonic acid CAS Name: 2-(4-nitrophenoxy)-5-octylbenzenesulfonic acid IUPAC Name: 2-(4-nitrophenoxy)-5-octylbenzenesulfonic acid Traditional Name: 2-(4-nitrophenoxy)-5-octyl-besylic acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C20H25NO6S/c1-2-3-4-5-6-7-8-16-9-14-19(20(15-16)28(24,25)26)27-18-12-10-17(11-13-18)21(22)23/h9-15H,2-8H2,1H3,(H,24,25,26)