2-chloranyl-4-[4-(4-pentylphenyl)phenyl]carbonyloxy-benzoic acid

Systemtic Name: 2-chloranyl-4-[4-(4-pentylphenyl)phenyl]carbonyloxy-benzoic acid Openeye Name: 2-chloro-4-[4-(4-pentylphenyl)benzoyl]oxy-benzoic acid CAS Name: 2-chloro-4-[oxo-[4-(4-pentylphenyl)phenyl]methoxy]benzoic acid IUPAC Name: 2-chloro-4-[4-(4-pentylphenyl)benzoyl]oxybenzoic acid Traditional Name: 4-[4-(4-amylphenyl)benzoyl]oxy-2-chloro-benzoic acid Formula: C25H23ClO4 MolecularWeight: 422.90072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C25H23ClO4/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)25(29)30-21-14-15-22(24(27)28)23(26)16-21/h6-16H,2-5H2,1H3,(H,27,28)