2-[2,4-bis(chloranyl)phenoxy]ethanoic acid; 2-(4-chloranyl-2-methyl-phenoxy)propanoic acid; 2-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoic acid

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]ethanoic acid; 2-(4-chloranyl-2-methyl-phenoxy)propanoic acid; 2-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoic acid Openeye Name: 2-(4-chloro-2-methyl-phenoxy)propanoic acid; 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid; 2-(2,4-dichlorophenoxy)acetic acid CAS Name: 2-(4-chloro-2-methylphenoxy)propanoic acid; 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid; 2-(2,4-dichlorophenoxy)acetic acid IUPAC Name: 2-(4-chloro-2-methylphenoxy)propanoic acid; 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid; 2-(2,4-dichlorophenoxy)acetic acid Traditional Name: 2-(4-chloro-2-keto-1,3-benzothiazol-3-yl)acetic acid; 2-(4-chloro-2-methyl-phenoxy)propionic acid; 2-(2,4-dichlorophenoxy)acetic acid Formula: C27H23Cl4NO9S MolecularWeight: 679.34982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O.C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O.C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O

InChI

InChI=1S/C10H11ClO3.C9H6ClNO3S.C8H6Cl2O3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h3-5,7H,1-2H3,(H,12,13);1-3H,4H2,(H,12,13);1-3H,4H2,(H,11,12)