3-(4-heptylsulfonylphenyl)propanoic acid

Systemtic Name: 3-(4-heptylsulfonylphenyl)propanoic acid Openeye Name: 3-(4-heptylsulfonylphenyl)propanoic acid CAS Name: 3-(4-heptylsulfonylphenyl)propanoic acid IUPAC Name: 3-(4-heptylsulfonylphenyl)propanoic acid Traditional Name: 3-(4-heptylsulfonylphenyl)propionic acid Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O4S/c1-2-3-4-5-6-13-21(19,20)15-10-7-14(8-11-15)9-12-16(17)18/h7-8,10-11H,2-6,9,12-13H2,1H3,(H,17,18)