4-butylsulfonylphthalic acid

Systemtic Name: 4-butylsulfonylphthalic acid Openeye Name: 4-butylsulfonylphthalic acid CAS Name: 4-butylsulfonylphthalic acid IUPAC Name: 4-butylsulfonylphthalic acid Traditional Name: 4-butylsulfonylphthalic acid Formula: C12H14O6S MolecularWeight: 286.30096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C12H14O6S/c1-2-3-6-19(17,18)8-4-5-9(11(13)14)10(7-8)12(15)16/h4-5,7H,2-3,6H2,1H3,(H,13,14)(H,15,16)