3-heptylsulfonylbenzoic acid

Systemtic Name: 3-heptylsulfonylbenzoic acid Openeye Name: 3-heptylsulfonylbenzoic acid CAS Name: 3-heptylsulfonylbenzoic acid IUPAC Name: 3-heptylsulfonylbenzoic acid Traditional Name: 3-heptylsulfonylbenzoic acid Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCS(=O)(=O)C1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCCCCCCS(=O)(=O)C1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C14H20O4S/c1-2-3-4-5-6-10-19(17,18)13-9-7-8-12(11-13)14(15)16/h7-9,11H,2-6,10H2,1H3,(H,15,16)