4-methylbenzenesulfonate; (5-oxidanyl-1-propoxy-pentan-2-yl) ethanoate

Systemtic Name: 4-methylbenzenesulfonate; (5-oxidanyl-1-propoxy-pentan-2-yl) ethanoate Openeye Name: [4-hydroxy-1-(propoxymethyl)butyl] acetate; 4-methylbenzenesulfonate CAS Name: acetic acid (5-hydroxy-1-propoxypentan-2-yl) ester; 4-methylbenzenesulfonate IUPAC Name: (5-hydroxy-1-propoxypentan-2-yl) acetate; 4-methylbenzenesulfonate Traditional Name: acetic acid [4-hydroxy-1-(propoxymethyl)butyl] ester tosylate Formula: C17H27O7S- MolecularWeight: 375.45708

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC(CCCO)OC(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCOCC(CCCO)OC(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H20O4.C7H8O3S/c1-3-7-13-8-10(5-4-6-11)14-9(2)12;1-6-2-4-7(5-3-6)11(8,9)10/h10-11H,3-8H2,1-2H3;2-5H,1H3,(H,8,9,10)/p-1