2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[4-[bis(2-chloroethyl)amino]phenyl]thio]propanoic acid IUPAC Name: 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[4-[bis(2-chloroethyl)amino]phenyl]thio]propionic acid Formula: C13H18Cl2N2O2S MolecularWeight: 337.26522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCCl)CCCl)SCC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1N(CCCl)CCCl)SCC(C(=O)O)N

InChI

InChI=1S/C13H18Cl2N2O2S/c14-5-7-17(8-6-15)10-1-3-11(4-2-10)20-9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)