6-[3,7,8-tris(chloranyl)phenoxathiin-2-yl]oxyhexanoic acid

Systemtic Name: 6-[3,7,8-tris(chloranyl)phenoxathiin-2-yl]oxyhexanoic acid Openeye Name: 6-(3,7,8-trichlorophenoxathiin-2-yl)oxyhexanoic acid CAS Name: 6-[(3,7,8-trichloro-2-phenoxathiinyl)oxy]hexanoic acid IUPAC Name: 6-(3,7,8-trichlorophenoxathiin-2-yl)oxyhexanoic acid Traditional Name: 6-(3,7,8-trichlorophenoxathiin-2-yl)oxyhexanoic acid Formula: C18H15Cl3O4S MolecularWeight: 433.7333

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1Cl)OCCCCCC(=O)O)SC3=CC(=C(C=C3O2)Cl)Cl

Isomeric SMILES

C1=C2C(=CC(=C1Cl)OCCCCCC(=O)O)SC3=CC(=C(C=C3O2)Cl)Cl

InChI

InChI=1S/C18H15Cl3O4S/c19-10-6-14-16(8-11(10)20)26-17-9-13(12(21)7-15(17)25-14)24-5-3-1-2-4-18(22)23/h6-9H,1-5H2,(H,22,23)