4-methylbenzenesulfonate; 4-phenylmethoxy-5-pyridin-3-yloxy-pentan-1-ol

Systemtic Name: 4-methylbenzenesulfonate; 4-phenylmethoxy-5-pyridin-3-yloxy-pentan-1-ol Openeye Name: 4-benzyloxy-5-(3-pyridyloxy)pentan-1-ol; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 4-phenylmethoxy-5-(3-pyridinyloxy)-1-pentanol IUPAC Name: 4-methylbenzenesulfonate; 4-phenylmethoxy-5-pyridin-3-yloxypentan-1-ol Traditional Name: 4-benzoxy-5-(3-pyridyloxy)pentan-1-ol tosylate Formula: C24H28NO6S- MolecularWeight: 458.54722

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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=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3.C7H8O3S/c19-11-5-9-17(14-21-16-8-4-10-18-12-16)20-13-15-6-2-1-3-7-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,6-8,10,12,17,19H,5,9,11,13-14H2;2-5H,1H3,(H,8,9,10)/p-1