2-(4-heptylsulfonylphenyl)ethanoic acid

Systemtic Name: 2-(4-heptylsulfonylphenyl)ethanoic acid Openeye Name: 2-(4-heptylsulfonylphenyl)acetic acid CAS Name: 2-(4-heptylsulfonylphenyl)acetic acid IUPAC Name: 2-(4-heptylsulfonylphenyl)acetic acid Traditional Name: 2-(4-heptylsulfonylphenyl)acetic acid Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O4S/c1-2-3-4-5-6-11-20(18,19)14-9-7-13(8-10-14)12-15(16)17/h7-10H,2-6,11-12H2,1H3,(H,16,17)