4-[3,5-bis(chloranyl)-4-methyl-phenyl]-2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3,5-bis(chloranyl)-4-methyl-phenyl]-2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3,5-dichloro-4-methyl-phenyl)-2-(3-methoxy-3-oxo-propyl)sulfanyl-4-oxo-butanoic acid CAS Name: 4-(3,5-dichloro-4-methylphenyl)-2-[(3-methoxy-3-oxopropyl)thio]-4-oxobutanoic acid IUPAC Name: 4-(3,5-dichloro-4-methylphenyl)-2-(3-methoxy-3-oxopropyl)sulfanyl-4-oxobutanoic acid Traditional Name: 4-(3,5-dichloro-4-methyl-phenyl)-4-keto-2-[(3-keto-3-methoxy-propyl)thio]butyric acid Formula: C15H16Cl2O5S MolecularWeight: 379.25554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)C(=O)CC(C(=O)O)SCCC(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1Cl)C(=O)CC(C(=O)O)SCCC(=O)OC)Cl

InChI

InChI=1S/C15H16Cl2O5S/c1-8-10(16)5-9(6-11(8)17)12(18)7-13(15(20)21)23-4-3-14(19)22-2/h5-6,13H,3-4,7H2,1-2H3,(H,20,21)