2-oxidanyl-5-sulfo-benzoic acid hydrate

Systemtic Name: 2-oxidanyl-5-sulfo-benzoic acid hydrate Openeye Name: 2-hydroxy-5-sulfo-benzoic acid hydrate CAS Name: 2-hydroxy-5-sulfobenzoic acid hydrate IUPAC Name: 2-hydroxy-5-sulfobenzoic acid hydrate Traditional Name: 2-hydroxy-5-sulfo-benzoic acid hydrate Formula: C7H8O7S MolecularWeight: 236.19922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.O

InChI

InChI=1S/C7H6O6S.H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;/h1-3,8H,(H,9,10)(H,11,12,13);1H2