2-chloranyl-4-[3-(3-hydroxyphenyl)-1-oxidanyl-propyl]benzoic acid

Systemtic Name: 2-chloranyl-4-[3-(3-hydroxyphenyl)-1-oxidanyl-propyl]benzoic acid Openeye Name: 2-chloro-4-[1-hydroxy-3-(3-hydroxyphenyl)propyl]benzoic acid CAS Name: 2-chloro-4-[1-hydroxy-3-(3-hydroxyphenyl)propyl]benzoic acid IUPAC Name: 2-chloro-4-[1-hydroxy-3-(3-hydroxyphenyl)propyl]benzoic acid Traditional Name: 2-chloro-4-[1-hydroxy-3-(3-hydroxyphenyl)propyl]benzoic acid Formula: C16H15ClO4 MolecularWeight: 306.7409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CCC(C2=CC(=C(C=C2)C(=O)O)Cl)O

Isomeric SMILES

C1=CC(=CC(=C1)O)CCC(C2=CC(=C(C=C2)C(=O)O)Cl)O

InChI

InChI=1S/C16H15ClO4/c17-14-9-11(5-6-13(14)16(20)21)15(19)7-4-10-2-1-3-12(18)8-10/h1-3,5-6,8-9,15,18-19H,4,7H2,(H,20,21)