butane-1,3-diol; 4-methylbenzenesulfonate

Systemtic Name: butane-1,3-diol; 4-methylbenzenesulfonate Openeye Name: butane-1,3-diol; 4-methylbenzenesulfonate CAS Name: butane-1,3-diol; 4-methylbenzenesulfonate IUPAC Name: butane-1,3-diol; 4-methylbenzenesulfonate Traditional Name: butane-1,3-diol tosylate Formula: C11H17O5S- MolecularWeight: 261.31468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(CCO)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(CCO)O

InChI

InChI=1S/C7H8O3S.C4H10O2/c1-6-2-4-7(5-3-6)11(8,9)10;1-4(6)2-3-5/h2-5H,1H3,(H,8,9,10);4-6H,2-3H2,1H3/p-1