5-heptylsulfonyl-2-methoxy-benzoic acid

Systemtic Name: 5-heptylsulfonyl-2-methoxy-benzoic acid Openeye Name: 5-heptylsulfonyl-2-methoxy-benzoic acid CAS Name: 5-heptylsulfonyl-2-methoxybenzoic acid IUPAC Name: 5-heptylsulfonyl-2-methoxybenzoic acid Traditional Name: 5-heptylsulfonyl-2-methoxy-benzoic acid Formula: C15H22O5S MolecularWeight: 314.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O5S/c1-3-4-5-6-7-10-21(18,19)12-8-9-14(20-2)13(11-12)15(16)17/h8-9,11H,3-7,10H2,1-2H3,(H,16,17)