N,N-bis(2-chloroethyl)-4-(4-oxidanyl-4-oxidanylidene-butyl)benzeneamine oxide; 4-methylbenzenesulfonic acid

Systemtic Name: N,N-bis(2-chloroethyl)-4-(4-oxidanyl-4-oxidanylidene-butyl)benzeneamine oxide; 4-methylbenzenesulfonic acid Openeye Name: N,N-bis(2-chloroethyl)-4-(4-hydroxy-4-oxo-butyl)benzeneamine oxide; 4-methylbenzenesulfonic acid CAS Name: N,N-bis(2-chloroethyl)-4-(4-hydroxy-4-oxobutyl)benzeneamine oxide; 4-methylbenzenesulfonic acid IUPAC Name: N,N-bis(2-chloroethyl)-4-(4-hydroxy-4-oxobutyl)benzeneamine oxide; 4-methylbenzenesulfonic acid Traditional Name: N,N-bis(2-chloroethyl)-4-(4-hydroxy-4-keto-butyl)benzeneamine oxide; tosylic acid Formula: C21H27Cl2NO6S MolecularWeight: 492.41318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1CCCC(=O)O)[N+](CCCl)(CCCl)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1CCCC(=O)O)[N+](CCCl)(CCCl)[O-]

InChI

InChI=1S/C14H19Cl2NO3.C7H8O3S/c15-8-10-17(20,11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1-3,8-11H2,(H,18,19);2-5H,1H3,(H,8,9,10)