4-ethyl-3-heptylsulfonyl-benzoic acid

Systemtic Name: 4-ethyl-3-heptylsulfonyl-benzoic acid Openeye Name: 4-ethyl-3-heptylsulfonyl-benzoic acid CAS Name: 4-ethyl-3-heptylsulfonylbenzoic acid IUPAC Name: 4-ethyl-3-heptylsulfonylbenzoic acid Traditional Name: 4-ethyl-3-heptylsulfonyl-benzoic acid Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O4S/c1-3-5-6-7-8-11-21(19,20)15-12-14(16(17)18)10-9-13(15)4-2/h9-10,12H,3-8,11H2,1-2H3,(H,17,18)