2-[2,4-bis(chloranyl)phenoxy]-5-chloranyl-phenol; 2-octyl-1,2-thiazol-3-one

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-5-chloranyl-phenol; 2-octyl-1,2-thiazol-3-one Openeye Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol; 2-octylisothiazol-3-one CAS Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol; 2-octyl-3-isothiazolone IUPAC Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol; 2-octyl-1,2-thiazol-3-one Traditional Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol; 2-octyl-4-isothiazolin-3-one Formula: C23H26Cl3NO3S MolecularWeight: 502.88144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C=CS1.C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCCCCN1C(=O)C=CS1.C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H7Cl3O2.C11H19NOS/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h1-6,16H;8,10H,2-7,9H2,1H3