methyl 3,5-bis(chloranyl)-4-oxidanyl-benzoate hydrate

Systemtic Name: methyl 3,5-bis(chloranyl)-4-oxidanyl-benzoate hydrate Openeye Name: methyl 3,5-dichloro-4-hydroxy-benzoate hydrate CAS Name: 3,5-dichloro-4-hydroxybenzoic acid methyl ester hydrate IUPAC Name: methyl 3,5-dichloro-4-hydroxybenzoate hydrate Traditional Name: 3,5-dichloro-4-hydroxy-benzoic acid methyl ester hydrate Formula: C8H8Cl2O4 MolecularWeight: 239.05272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)Cl)O)Cl.O

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)Cl)O)Cl.O

InChI

InChI=1S/C8H6Cl2O3.H2O/c1-13-8(12)4-2-5(9)7(11)6(10)3-4;/h2-3,11H,1H3;1H2