sodium (2S)-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate

Systemtic Name: sodium (2S)-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate Openeye Name: sodium (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate CAS Name: sodium (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate IUPAC Name: sodium (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate Traditional Name: sodium (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propionate Formula: C13H17Cl2N2NaO2 MolecularWeight: 327.18205

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)[O-])N)N(CCCl)CCCl.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)[O-])N)N(CCCl)CCCl.[Na+]

InChI

InChI=1S/C13H18Cl2N2O2.Na/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;/h1-4,12H,5-9,16H2,(H,18,19);/q;+1/p-1/t12-;/m0./s1