2-(4-chloranylphenoxy)-5-oxidanyl-4-pentanoyl-thiophen-3-one

Systemtic Name: 2-(4-chloranylphenoxy)-5-oxidanyl-4-pentanoyl-thiophen-3-one Openeye Name: 2-(4-chlorophenoxy)-5-hydroxy-4-pentanoyl-thiophen-3-one CAS Name: 2-(4-chlorophenoxy)-5-hydroxy-4-(1-oxopentyl)-3-thiophenone IUPAC Name: 2-(4-chlorophenoxy)-5-hydroxy-4-pentanoylthiophen-3-one Traditional Name: 2-(4-chlorophenoxy)-5-hydroxy-4-valeryl-thiophen-3-one Formula: C15H15ClO4S MolecularWeight: 326.7952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(SC(C1=O)OC2=CC=C(C=C2)Cl)O

Isomeric SMILES

CCCCC(=O)C1=C(SC(C1=O)OC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C15H15ClO4S/c1-2-3-4-11(17)12-13(18)15(21-14(12)19)20-10-7-5-9(16)6-8-10/h5-8,15,19H,2-4H2,1H3