5-(2-bromanyl-4-chloranyl-phenoxy)pent-3-yn-1-ol; 4-methylbenzenesulfonate

Systemtic Name: 5-(2-bromanyl-4-chloranyl-phenoxy)pent-3-yn-1-ol; 4-methylbenzenesulfonate Openeye Name: 5-(2-bromo-4-chloro-phenoxy)pent-3-yn-1-ol; 4-methylbenzenesulfonate CAS Name: 5-(2-bromo-4-chlorophenoxy)-3-pentyn-1-ol; 4-methylbenzenesulfonate IUPAC Name: 5-(2-bromo-4-chlorophenoxy)pent-3-yn-1-ol; 4-methylbenzenesulfonate Traditional Name: 5-(2-bromo-4-chloro-phenoxy)pent-3-yn-1-ol tosylate Formula: C18H17BrClO5S- MolecularWeight: 460.74658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=C(C=C1Cl)Br)OCC#CCCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=C(C=C1Cl)Br)OCC#CCCO

InChI

InChI=1S/C11H10BrClO2.C7H8O3S/c12-10-8-9(13)4-5-11(10)15-7-3-1-2-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,8,14H,2,6-7H2;2-5H,1H3,(H,8,9,10)/p-1