4-chloranyl-3-heptylsulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-heptylsulfonyl-benzoic acid Openeye Name: 4-chloro-3-heptylsulfonyl-benzoic acid CAS Name: 4-chloro-3-heptylsulfonylbenzoic acid IUPAC Name: 4-chloro-3-heptylsulfonylbenzoic acid Traditional Name: 4-chloro-3-heptylsulfonyl-benzoic acid Formula: C14H19ClO4S MolecularWeight: 318.81626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClO4S/c1-2-3-4-5-6-9-20(18,19)13-10-11(14(16)17)7-8-12(13)15/h7-8,10H,2-6,9H2,1H3,(H,16,17)