3-(2-oxidanylidenepentoxysulfonyl)benzoic acid

Systemtic Name: 3-(2-oxidanylidenepentoxysulfonyl)benzoic acid Openeye Name: 3-(2-oxopentoxysulfonyl)benzoic acid CAS Name: 3-(2-oxopentoxysulfonyl)benzoic acid IUPAC Name: 3-(2-oxopentoxysulfonyl)benzoic acid Traditional Name: 3-(2-ketopentoxysulfonyl)benzoic acid Formula: C12H14O6S MolecularWeight: 286.30096

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)COS(=O)(=O)C1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCCC(=O)COS(=O)(=O)C1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C12H14O6S/c1-2-4-10(13)8-18-19(16,17)11-6-3-5-9(7-11)12(14)15/h3,5-7H,2,4,8H2,1H3,(H,14,15)