5-(4-methoxyphenoxy)-4-phenylmethoxy-pentan-1-ol; 4-methylbenzenesulfonate

Systemtic Name: 5-(4-methoxyphenoxy)-4-phenylmethoxy-pentan-1-ol; 4-methylbenzenesulfonate Openeye Name: 4-benzyloxy-5-(4-methoxyphenoxy)pentan-1-ol; 4-methylbenzenesulfonate CAS Name: 5-(4-methoxyphenoxy)-4-phenylmethoxy-1-pentanol; 4-methylbenzenesulfonate IUPAC Name: 5-(4-methoxyphenoxy)-4-phenylmethoxypentan-1-ol; 4-methylbenzenesulfonate Traditional Name: 4-benzoxy-5-(4-methoxyphenoxy)pentan-1-ol tosylate Formula: C26H31O7S- MolecularWeight: 487.58514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC=C(C=C1)OCC(CCCO)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC=C(C=C1)OCC(CCCO)OCC2=CC=CC=C2

InChI

InChI=1S/C19H24O4.C7H8O3S/c1-21-17-9-11-18(12-10-17)23-15-19(8-5-13-20)22-14-16-6-3-2-4-7-16;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3;2-5H,1H3,(H,8,9,10)/p-1