2-sulfooxybenzoate dihydrate

Systemtic Name: 2-sulfooxybenzoate dihydrate Openeye Name: 2-sulfooxybenzoate dihydrate CAS Name: 2-sulfooxybenzoate dihydrate IUPAC Name: 2-sulfooxybenzoate dihydrate Traditional Name: 2-sulfoxybenzoate dihydrate Formula: C7H9O8S- MolecularWeight: 253.20656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])OS(=O)(=O)O.O.O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])OS(=O)(=O)O.O.O

InChI

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