8-(4-chlorophenyl)-2-sulfonyl-octanoic acid

Systemtic Name: 8-(4-chlorophenyl)-2-sulfonyl-octanoic acid Openeye Name: 8-(4-chlorophenyl)-2-sulfonyl-octanoic acid CAS Name: 8-(4-chlorophenyl)-2-sulfonyloctanoic acid IUPAC Name: 8-(4-chlorophenyl)-2-sulfonyloctanoic acid Traditional Name: 8-(4-chlorophenyl)-2-sulfonyl-caprylic acid Formula: C14H17ClO4S MolecularWeight: 316.80038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCC(=S(=O)=O)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CCCCCCC(=S(=O)=O)C(=O)O)Cl

InChI

InChI=1S/C14H17ClO4S/c15-12-9-7-11(8-10-12)5-3-1-2-4-6-13(14(16)17)20(18)19/h7-10H,1-6H2,(H,16,17)