2-heptylsulfonylbenzoic acid

Systemtic Name: 2-heptylsulfonylbenzoic acid Openeye Name: 2-heptylsulfonylbenzoic acid CAS Name: 2-heptylsulfonylbenzoic acid IUPAC Name: 2-heptylsulfonylbenzoic acid Traditional Name: 2-heptylsulfonylbenzoic acid Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCS(=O)(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCS(=O)(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C14H20O4S/c1-2-3-4-5-8-11-19(17,18)13-10-7-6-9-12(13)14(15)16/h6-7,9-10H,2-5,8,11H2,1H3,(H,15,16)