4-[2-[bis(2-chloroethyl)aminooxy]ethoxycarbonyl]benzenesulfonic acid

Systemtic Name: 4-[2-[bis(2-chloroethyl)aminooxy]ethoxycarbonyl]benzenesulfonic acid Openeye Name: 4-[2-[bis(2-chloroethyl)aminooxy]ethoxycarbonyl]benzenesulfonic acid CAS Name: 4-[2-[bis(2-chloroethyl)aminooxy]ethoxy-oxomethyl]benzenesulfonic acid IUPAC Name: 4-[2-[bis(2-chloroethyl)aminooxy]ethoxycarbonyl]benzenesulfonic acid Traditional Name: 4-[2-[bis(2-chloroethyl)aminooxy]ethoxycarbonyl]besylic acid Formula: C13H17Cl2NO6S MolecularWeight: 386.24818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCON(CCCl)CCCl)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCON(CCCl)CCCl)S(=O)(=O)O

InChI

InChI=1S/C13H17Cl2NO6S/c14-5-7-16(8-6-15)22-10-9-21-13(17)11-1-3-12(4-2-11)23(18,19)20/h1-4H,5-10H2,(H,18,19,20)