4-methylbenzenesulfonic acid; 3-(3-methylsulfonyloxypropylamino)propyl methanesulfonate

Systemtic Name: 4-methylbenzenesulfonic acid; 3-(3-methylsulfonyloxypropylamino)propyl methanesulfonate Openeye Name: 4-methylbenzenesulfonic acid; 3-(3-methylsulfonyloxypropylamino)propyl methanesulfonate CAS Name: methanesulfonic acid 3-(3-methylsulfonyloxypropylamino)propyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; 3-(3-methylsulfonyloxypropylamino)propyl methanesulfonate Traditional Name: methanesulfonic acid 3-(3-methylsulfonyloxypropylamino)propyl ester; tosylic acid Formula: C15H27NO9S3 MolecularWeight: 461.57118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CS(=O)(=O)OCCCNCCCOS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CS(=O)(=O)OCCCNCCCOS(=O)(=O)C

InChI

InChI=1S/C8H19NO6S2.C7H8O3S/c1-16(10,11)14-7-3-5-9-6-4-8-15-17(2,12)13;1-6-2-4-7(5-3-6)11(8,9)10/h9H,3-8H2,1-2H3;2-5H,1H3,(H,8,9,10)