7-(4-chloranylphenoxy)-2-thiophen-2-ylsulfonyl-heptanoic acid

Systemtic Name: 7-(4-chloranylphenoxy)-2-thiophen-2-ylsulfonyl-heptanoic acid Openeye Name: 7-(4-chlorophenoxy)-2-(2-thienylsulfonyl)heptanoic acid CAS Name: 7-(4-chlorophenoxy)-2-thiophen-2-ylsulfonylheptanoic acid IUPAC Name: 7-(4-chlorophenoxy)-2-thiophen-2-ylsulfonylheptanoic acid Traditional Name: 7-(4-chlorophenoxy)-2-(2-thienylsulfonyl)enanthic acid Formula: C17H19ClO5S2 MolecularWeight: 402.91276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)S(=O)(=O)C(CCCCCOC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CSC(=C1)S(=O)(=O)C(CCCCCOC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C17H19ClO5S2/c18-13-7-9-14(10-8-13)23-11-3-1-2-5-15(17(19)20)25(21,22)16-6-4-12-24-16/h4,6-10,12,15H,1-3,5,11H2,(H,19,20)