2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylacetic acid CAS Name: 2-[[4-[bis(2-chloroethyl)amino]phenyl]thio]acetic acid IUPAC Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylacetic acid Traditional Name: 2-[[4-[bis(2-chloroethyl)amino]phenyl]thio]acetic acid Formula: C12H15Cl2NO2S MolecularWeight: 308.224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15Cl2NO2S/c13-5-7-15(8-6-14)10-1-3-11(4-2-10)18-9-12(16)17/h1-4H,5-9H2,(H,16,17)