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

Systemtic Name: ethyl 3,5-bis(chloranyl)-4-oxidanyl-benzoate hydrate Openeye Name: ethyl 3,5-dichloro-4-hydroxy-benzoate hydrate CAS Name: 3,5-dichloro-4-hydroxybenzoic acid ethyl ester hydrate IUPAC Name: ethyl 3,5-dichloro-4-hydroxybenzoate hydrate Traditional Name: 3,5-dichloro-4-hydroxy-benzoic acid ethyl ester hydrate Formula: C9H10Cl2O4 MolecularWeight: 253.0793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8Cl2O3.H2O/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5;/h3-4,12H,2H2,1H3;1H2