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

Systemtic Name: methyl 5-chloranyl-2-[3-(3-hydroxyphenyl)-3-oxidanyl-propyl]benzoate Openeye Name: methyl 5-chloro-2-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoate CAS Name: 5-chloro-2-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoate Traditional Name: 5-chloro-2-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoic acid methyl ester Formula: C17H17ClO4 MolecularWeight: 320.76748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClO4/c1-22-17(21)15-10-13(18)7-5-11(15)6-8-16(20)12-3-2-4-14(19)9-12/h2-5,7,9-10,16,19-20H,6,8H2,1H3