3-heptylsulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-heptylsulfonyl-4-methyl-benzoic acid Openeye Name: 3-heptylsulfonyl-4-methyl-benzoic acid CAS Name: 3-heptylsulfonyl-4-methylbenzoic acid IUPAC Name: 3-heptylsulfonyl-4-methylbenzoic acid Traditional Name: 3-heptylsulfonyl-4-methyl-benzoic acid Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O4S/c1-3-4-5-6-7-10-20(18,19)14-11-13(15(16)17)9-8-12(14)2/h8-9,11H,3-7,10H2,1-2H3,(H,16,17)