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

Systemtic Name: 2-chloranyl-4-[4-(4-heptylphenyl)phenyl]carbonyloxy-benzoic acid Openeye Name: 2-chloro-4-[4-(4-heptylphenyl)benzoyl]oxy-benzoic acid CAS Name: 2-chloro-4-[[4-(4-heptylphenyl)phenyl]-oxomethoxy]benzoic acid IUPAC Name: 2-chloro-4-[4-(4-heptylphenyl)benzoyl]oxybenzoic acid Traditional Name: 2-chloro-4-[4-(4-heptylphenyl)benzoyl]oxy-benzoic acid Formula: C27H27ClO4 MolecularWeight: 450.95388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C27H27ClO4/c1-2-3-4-5-6-7-19-8-10-20(11-9-19)21-12-14-22(15-13-21)27(31)32-23-16-17-24(26(29)30)25(28)18-23/h8-18H,2-7H2,1H3,(H,29,30)