4-(2-chloranylphenoxy)-2-phenethylsulfonyl-heptanoic acid

Systemtic Name: 4-(2-chloranylphenoxy)-2-phenethylsulfonyl-heptanoic acid Openeye Name: 4-(2-chlorophenoxy)-2-phenethylsulfonyl-heptanoic acid CAS Name: 4-(2-chlorophenoxy)-2-phenethylsulfonylheptanoic acid IUPAC Name: 4-(2-chlorophenoxy)-2-phenethylsulfonylheptanoic acid Traditional Name: 4-(2-chlorophenoxy)-2-phenethylsulfonyl-enanthic acid Formula: C21H25ClO5S MolecularWeight: 424.9382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C(=O)O)S(=O)(=O)CCC1=CC=CC=C1)OC2=CC=CC=C2Cl

Isomeric SMILES

CCCC(CC(C(=O)O)S(=O)(=O)CCC1=CC=CC=C1)OC2=CC=CC=C2Cl

InChI

InChI=1S/C21H25ClO5S/c1-2-8-17(27-19-12-7-6-11-18(19)22)15-20(21(23)24)28(25,26)14-13-16-9-4-3-5-10-16/h3-7,9-12,17,20H,2,8,13-15H2,1H3,(H,23,24)