4-(4-decoxyphenyl)-3-(2-nitrophenyl)-2-octan-2-yloxy-benzoic acid

Systemtic Name: 4-(4-decoxyphenyl)-3-(2-nitrophenyl)-2-octan-2-yloxy-benzoic acid Openeye Name: 4-(4-decoxyphenyl)-2-(1-methylheptoxy)-3-(2-nitrophenyl)benzoic acid CAS Name: 4-(4-decoxyphenyl)-3-(2-nitrophenyl)-2-octan-2-yloxybenzoic acid IUPAC Name: 4-(4-decoxyphenyl)-3-(2-nitrophenyl)-2-octan-2-yloxybenzoic acid Traditional Name: 4-(4-decoxyphenyl)-2-(1-methylheptoxy)-3-(2-nitrophenyl)benzoic acid Formula: C37H49NO6 MolecularWeight: 603.78806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)OC(C)CCCCCC)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)OC(C)CCCCCC)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C37H49NO6/c1-4-6-8-10-11-12-13-17-27-43-30-23-21-29(22-24-30)31-25-26-33(37(39)40)36(44-28(3)18-14-9-7-5-2)35(31)32-19-15-16-20-34(32)38(41)42/h15-16,19-26,28H,4-14,17-18,27H2,1-3H3,(H,39,40)