[4-[bis(2-chloroethyl)amino]phenyl] hydrogen sulfate; sodium

Systemtic Name: [4-[bis(2-chloroethyl)amino]phenyl] hydrogen sulfate; sodium Openeye Name: [4-[bis(2-chloroethyl)amino]phenyl] hydrogen sulfate; sodium CAS Name: sodium; sulfuric acid [4-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-chloroethyl)amino]phenyl] hydrogen sulfate; sodium Traditional Name: sodium; sulfuric acid [4-[bis(2-chloroethyl)amino]phenyl] ester Formula: C10H13Cl2NNaO4S MolecularWeight: 337.17529

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCCl)CCCl)OS(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC(=CC=C1N(CCCl)CCCl)OS(=O)(=O)O.[Na]

InChI

InChI=1S/C10H13Cl2NO4S.Na/c11-5-7-13(8-6-12)9-1-3-10(4-2-9)17-18(14,15)16;/h1-4H,5-8H2,(H,14,15,16);