2-oxidanylbenzoate; 3-(3-sulfophenyl)benzenesulfonic acid

Systemtic Name: 2-oxidanylbenzoate; 3-(3-sulfophenyl)benzenesulfonic acid Openeye Name: 2-hydroxybenzoate; 3-(3-sulfophenyl)benzenesulfonic acid CAS Name: 2-hydroxybenzoate; 3-(3-sulfophenyl)benzenesulfonic acid IUPAC Name: 2-hydroxybenzoate; 3-(3-sulfophenyl)benzenesulfonic acid Traditional Name: salicylate; 3-(3-sulfophenyl)besylic acid Formula: C26H20O12S2-2 MolecularWeight: 588.5598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10O6S2.2C7H6O3/c13-19(14,15)11-5-1-3-9(7-11)10-4-2-6-12(8-10)20(16,17)18;2*8-6-4-2-1-3-5(6)7(9)10/h1-8H,(H,13,14,15)(H,16,17,18);2*1-4,8H,(H,9,10)/p-2