methyl 3-[[5-chloranyl-3-[(2-hydroxyphenyl)methyl]-2-oxidanyl-phenyl]methyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 3-[[5-chloranyl-3-[(2-hydroxyphenyl)methyl]-2-oxidanyl-phenyl]methyl]-2-oxidanyl-benzoate Openeye Name: methyl 3-[[5-chloro-2-hydroxy-3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-hydroxy-benzoate CAS Name: 3-[[5-chloro-2-hydroxy-3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-[[5-chloro-2-hydroxy-3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-hydroxybenzoate Traditional Name: 3-(5-chloro-2-hydroxy-3-salicyl-benzyl)-2-hydroxy-benzoic acid methyl ester Formula: C22H19ClO5 MolecularWeight: 398.83626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)CC2=C(C(=CC(=C2)Cl)CC3=CC=CC=C3O)O)O

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)CC2=C(C(=CC(=C2)Cl)CC3=CC=CC=C3O)O)O

InChI

InChI=1S/C22H19ClO5/c1-28-22(27)18-7-4-6-14(21(18)26)10-16-12-17(23)11-15(20(16)25)9-13-5-2-3-8-19(13)24/h2-8,11-12,24-26H,9-10H2,1H3