2-chloranyl-4-(4-octoxyphenyl)carbonyloxy-benzoic acid

Systemtic Name: 2-chloranyl-4-(4-octoxyphenyl)carbonyloxy-benzoic acid Openeye Name: 2-chloro-4-(4-octoxybenzoyl)oxy-benzoic acid CAS Name: 2-chloro-4-[(4-octoxyphenyl)-oxomethoxy]benzoic acid IUPAC Name: 2-chloro-4-(4-octoxybenzoyl)oxybenzoic acid Traditional Name: 2-chloro-4-(4-octoxybenzoyl)oxy-benzoic acid Formula: C22H25ClO5 MolecularWeight: 404.8839

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C22H25ClO5/c1-2-3-4-5-6-7-14-27-17-10-8-16(9-11-17)22(26)28-18-12-13-19(21(24)25)20(23)15-18/h8-13,15H,2-7,14H2,1H3,(H,24,25)