5-chloranyl-2-(3,4-dimethoxyphenyl)carbonyl-benzoic acid

Systemtic Name: 5-chloranyl-2-(3,4-dimethoxyphenyl)carbonyl-benzoic acid Openeye Name: 5-chloro-2-(3,4-dimethoxybenzoyl)benzoic acid CAS Name: 5-chloro-2-[(3,4-dimethoxyphenyl)-oxomethyl]benzoic acid IUPAC Name: 5-chloro-2-(3,4-dimethoxybenzoyl)benzoic acid Traditional Name: 5-chloro-2-veratroyl-benzoic acid Formula: C16H13ClO5 MolecularWeight: 320.72442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=C(C=C(C=C2)Cl)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=C(C=C(C=C2)Cl)C(=O)O)OC

InChI

InChI=1S/C16H13ClO5/c1-21-13-6-3-9(7-14(13)22-2)15(18)11-5-4-10(17)8-12(11)16(19)20/h3-8H,1-2H3,(H,19,20)