2-[bis(2-chloroethyl)aminooxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[bis(2-chloroethyl)aminooxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[bis(2-chloroethyl)aminooxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[bis(2-chloroethyl)aminooxy]ethyl ester IUPAC Name: 2-[bis(2-chloroethyl)aminooxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[bis(2-chloroethyl)aminooxy]ethyl ester Formula: C13H19Cl2NO4S MolecularWeight: 356.26526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCON(CCCl)CCCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCON(CCCl)CCCl

InChI

InChI=1S/C13H19Cl2NO4S/c1-12-2-4-13(5-3-12)21(17,18)20-11-10-19-16(8-6-14)9-7-15/h2-5H,6-11H2,1H3