3-heptylsulfonyl-4,5-dimethyl-benzoic acid

Systemtic Name: 3-heptylsulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-heptylsulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-heptylsulfonyl-4,5-dimethylbenzoic acid IUPAC Name: 3-heptylsulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-heptylsulfonyl-4,5-dimethyl-benzoic acid Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O4S/c1-4-5-6-7-8-9-21(19,20)15-11-14(16(17)18)10-12(2)13(15)3/h10-11H,4-9H2,1-3H3,(H,17,18)