2-[4-(2-butanoyloxypropoxy)phenyl]-3-nonan-4-yl-4-phenyl-benzoic acid

Systemtic Name: 2-[4-(2-butanoyloxypropoxy)phenyl]-3-nonan-4-yl-4-phenyl-benzoic acid Openeye Name: 2-[4-(2-butanoyloxypropoxy)phenyl]-4-phenyl-3-(1-propylhexyl)benzoic acid CAS Name: 3-nonan-4-yl-2-[4-[2-(1-oxobutoxy)propoxy]phenyl]-4-phenylbenzoic acid IUPAC Name: 2-[4-(2-butanoyloxypropoxy)phenyl]-3-nonan-4-yl-4-phenylbenzoic acid Traditional Name: 2-[4-(2-butyryloxypropoxy)phenyl]-4-phenyl-3-(1-propylhexyl)benzoic acid Formula: C35H44O5 MolecularWeight: 544.72086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC)C1=C(C=CC(=C1C2=CC=C(C=C2)OCC(C)OC(=O)CCC)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCCC(CCC)C1=C(C=CC(=C1C2=CC=C(C=C2)OCC(C)OC(=O)CCC)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C35H44O5/c1-5-8-10-17-27(13-6-2)33-30(26-15-11-9-12-16-26)22-23-31(35(37)38)34(33)28-18-20-29(21-19-28)39-24-25(4)40-32(36)14-7-3/h9,11-12,15-16,18-23,25,27H,5-8,10,13-14,17,24H2,1-4H3,(H,37,38)