5,5-bis(chloranyl)-3-phenylsulfanyl-2-propan-2-yl-pent-4-enoic acid

Systemtic Name: 5,5-bis(chloranyl)-3-phenylsulfanyl-2-propan-2-yl-pent-4-enoic acid Openeye Name: 5,5-dichloro-2-isopropyl-3-phenylsulfanyl-pent-4-enoic acid CAS Name: 5,5-dichloro-3-(phenylthio)-2-propan-2-yl-4-pentenoic acid IUPAC Name: 5,5-dichloro-3-phenylsulfanyl-2-propan-2-ylpent-4-enoic acid Traditional Name: 5,5-dichloro-2-isopropyl-3-(phenylthio)pent-4-enoic acid Formula: C14H16Cl2O2S MolecularWeight: 319.24664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C=C(Cl)Cl)SC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)C(C(C=C(Cl)Cl)SC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H16Cl2O2S/c1-9(2)13(14(17)18)11(8-12(15)16)19-10-6-4-3-5-7-10/h3-9,11,13H,1-2H3,(H,17,18)