4-[5-[4-(9-methoxynonylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid

Systemtic Name: 4-[5-[4-(9-methoxynonylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid Openeye Name: 4-[5-[4-(9-methoxynonylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid CAS Name: 4-[5-[4-(9-methoxynonylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid IUPAC Name: 4-[5-[4-(9-methoxynonylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid Traditional Name: 4-[5-[4-(9-methoxynonylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H30N2O6S/c1-32-17-7-5-3-2-4-6-8-18-34(30,31)22-15-13-20(14-16-22)24-26-23(27-33-24)19-9-11-21(12-10-19)25(28)29/h9-16H,2-8,17-18H2,1H3,(H,28,29)