3-(4-chlorophenyl)sulfonyl-2-phenyl-2-propyl-hexanoic acid

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-2-phenyl-2-propyl-hexanoic acid Openeye Name: 3-(4-chlorophenyl)sulfonyl-2-phenyl-2-propyl-hexanoic acid CAS Name: 3-(4-chlorophenyl)sulfonyl-2-phenyl-2-propylhexanoic acid IUPAC Name: 3-(4-chlorophenyl)sulfonyl-2-phenyl-2-propylhexanoic acid Traditional Name: 3-(4-chlorophenyl)sulfonyl-2-phenyl-2-propyl-hexanoic acid Formula: C21H25ClO4S MolecularWeight: 408.9388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CCC)(C1=CC=CC=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC(C(CCC)(C1=CC=CC=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H25ClO4S/c1-3-8-19(27(25,26)18-13-11-17(22)12-14-18)21(15-4-2,20(23)24)16-9-6-5-7-10-16/h5-7,9-14,19H,3-4,8,15H2,1-2H3,(H,23,24)