3-chloranyl-4-oxidanyl-benzoic acid hydrate

Systemtic Name: 3-chloranyl-4-oxidanyl-benzoic acid hydrate Openeye Name: 3-chloro-4-hydroxy-benzoic acid hydrate CAS Name: 3-chloro-4-hydroxybenzoic acid hydrate IUPAC Name: 3-chloro-4-hydroxybenzoic acid hydrate Traditional Name: 3-chloro-4-hydroxy-benzoic acid hydrate Formula: C14H12Cl2O7 MolecularWeight: 363.14688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)Cl)O.C1=CC(=C(C=C1C(=O)O)Cl)O.O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)Cl)O.C1=CC(=C(C=C1C(=O)O)Cl)O.O

InChI

InChI=1S/2C7H5ClO3.H2O/c2*8-5-3-4(7(10)11)1-2-6(5)9;/h2*1-3,9H,(H,10,11);1H2