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

Systemtic Name: 4-methylbenzenesulfonate; 5-(4-methylphenoxy)-4-phenylmethoxy-pentan-1-ol Openeye Name: 4-benzyloxy-5-(4-methylphenoxy)pentan-1-ol; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 5-(4-methylphenoxy)-4-phenylmethoxy-1-pentanol IUPAC Name: 4-methylbenzenesulfonate; 5-(4-methylphenoxy)-4-phenylmethoxypentan-1-ol Traditional Name: 4-benzoxy-5-(4-methylphenoxy)pentan-1-ol tosylate Formula: C26H31O6S- MolecularWeight: 471.58574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24O3.C7H8O3S/c1-16-9-11-18(12-10-16)22-15-19(8-5-13-20)21-14-17-6-3-2-4-7-17;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