2-oxidanylbenzoic acid; 2-propan-2-ylbenzenesulfonate

Systemtic Name: 2-oxidanylbenzoic acid; 2-propan-2-ylbenzenesulfonate Openeye Name: 2-hydroxybenzoic acid; 2-isopropylbenzenesulfonate CAS Name: 2-hydroxybenzoic acid; 2-propan-2-ylbenzenesulfonate IUPAC Name: 2-hydroxybenzoic acid; 2-propan-2-ylbenzenesulfonate Traditional Name: 2-isopropylbesylate; salicylic acid Formula: C16H17O6S- MolecularWeight: 337.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1S(=O)(=O)[O-].C1=CC=C(C(=C1)C(=O)O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1S(=O)(=O)[O-].C1=CC=C(C(=C1)C(=O)O)O

InChI

InChI=1S/C9H12O3S.C7H6O3/c1-7(2)8-5-3-4-6-9(8)13(10,11)12;8-6-4-2-1-3-5(6)7(9)10/h3-7H,1-2H3,(H,10,11,12);1-4,8H,(H,9,10)/p-1