4-methylbenzenesulfonate; 5-phenoxy-4-phenylmethoxy-pentan-1-ol

Systemtic Name: 4-methylbenzenesulfonate; 5-phenoxy-4-phenylmethoxy-pentan-1-ol Openeye Name: 4-benzyloxy-5-phenoxy-pentan-1-ol; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 5-phenoxy-4-phenylmethoxy-1-pentanol IUPAC Name: 4-methylbenzenesulfonate; 5-phenoxy-4-phenylmethoxypentan-1-ol Traditional Name: 4-benzoxy-5-phenoxy-pentan-1-ol tosylate Formula: C25H29O6S- MolecularWeight: 457.55916

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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=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H22O3.C7H8O3S/c19-13-7-12-18(15-21-17-10-5-2-6-11-17)20-14-16-8-3-1-4-9-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,8-11,18-19H,7,12-15H2;2-5H,1H3,(H,8,9,10)/p-1