5-[2,4-bis(chloranyl)phenoxy]-4-phenylmethoxy-pentan-1-ol; 4-methylbenzenesulfonate

Systemtic Name: 5-[2,4-bis(chloranyl)phenoxy]-4-phenylmethoxy-pentan-1-ol; 4-methylbenzenesulfonate Openeye Name: 4-benzyloxy-5-(2,4-dichlorophenoxy)pentan-1-ol; 4-methylbenzenesulfonate CAS Name: 5-(2,4-dichlorophenoxy)-4-phenylmethoxy-1-pentanol; 4-methylbenzenesulfonate IUPAC Name: 5-(2,4-dichlorophenoxy)-4-phenylmethoxypentan-1-ol; 4-methylbenzenesulfonate Traditional Name: 4-benzoxy-5-(2,4-dichlorophenoxy)pentan-1-ol tosylate Formula: C25H27Cl2O6S- MolecularWeight: 526.44928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)COC(CCCO)COC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)COC(CCCO)COC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H20Cl2O3.C7H8O3S/c19-15-8-9-18(17(20)11-15)23-13-16(7-4-10-21)22-12-14-5-2-1-3-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6,8-9,11,16,21H,4,7,10,12-13H2;2-5H,1H3,(H,8,9,10)/p-1