2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonate trihydrate

Systemtic Name: 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonate trihydrate Openeye Name: 5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonate trihydrate CAS Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate trihydrate IUPAC Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate trihydrate Traditional Name: 5-benzoyl-4-hydroxy-2-methoxy-besylate trihydrate Formula: C14H17O9S- MolecularWeight: 361.34438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-].O.O.O

Isomeric SMILES

COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-].O.O.O

InChI

InChI=1S/C14H12O6S.3H2O/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9;;;/h2-8,15H,1H3,(H,17,18,19);3*1H2/p-1