5-chloranyl-3-hexylsulfonyl-2-methoxy-benzoic acid

Systemtic Name: 5-chloranyl-3-hexylsulfonyl-2-methoxy-benzoic acid Openeye Name: 5-chloro-3-hexylsulfonyl-2-methoxy-benzoic acid CAS Name: 5-chloro-3-hexylsulfonyl-2-methoxybenzoic acid IUPAC Name: 5-chloro-3-hexylsulfonyl-2-methoxybenzoic acid Traditional Name: 5-chloro-3-hexylsulfonyl-2-methoxy-benzoic acid Formula: C14H19ClO5S MolecularWeight: 334.81566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC

Isomeric SMILES

CCCCCCS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC

InChI

InChI=1S/C14H19ClO5S/c1-3-4-5-6-7-21(18,19)12-9-10(15)8-11(14(16)17)13(12)20-2/h8-9H,3-7H2,1-2H3,(H,16,17)