7-(4-chlorophenyl)-2-octylsulfonyl-heptanoic acid

Systemtic Name: 7-(4-chlorophenyl)-2-octylsulfonyl-heptanoic acid Openeye Name: 7-(4-chlorophenyl)-2-octylsulfonyl-heptanoic acid CAS Name: 7-(4-chlorophenyl)-2-octylsulfonylheptanoic acid IUPAC Name: 7-(4-chlorophenyl)-2-octylsulfonylheptanoic acid Traditional Name: 7-(4-chlorophenyl)-2-octylsulfonyl-enanthic acid Formula: C21H33ClO4S MolecularWeight: 417.00232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C(CCCCCC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)C(CCCCCC1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C21H33ClO4S/c1-2-3-4-5-6-10-17-27(25,26)20(21(23)24)12-9-7-8-11-18-13-15-19(22)16-14-18/h13-16,20H,2-12,17H2,1H3,(H,23,24)