3-(3-oxidanylidene-3-phenyl-2-tetracosan-4-yloxy-propanoyl)benzoic acid

Systemtic Name: 3-(3-oxidanylidene-3-phenyl-2-tetracosan-4-yloxy-propanoyl)benzoic acid Openeye Name: 3-[3-oxo-3-phenyl-2-(1-propylhenicosoxy)propanoyl]benzoic acid CAS Name: 3-(1,3-dioxo-3-phenyl-2-tetracosan-4-yloxypropyl)benzoic acid IUPAC Name: 3-(3-oxo-3-phenyl-2-tetracosan-4-yloxypropanoyl)benzoic acid Traditional Name: 3-[3-keto-3-phenyl-2-(1-propylheneicosoxy)propanoyl]benzoic acid Formula: C40H60O5 MolecularWeight: 620.9014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(CCC)OC(C(=O)C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(CCC)OC(C(=O)C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C40H60O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-36(26-4-2)45-39(37(41)33-27-22-21-23-28-33)38(42)34-29-25-30-35(32-34)40(43)44/h21-23,25,27-30,32,36,39H,3-20,24,26,31H2,1-2H3,(H,43,44)