2-[4-[2-chloroethyl(2-thiocyanatoethyl)amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-chloroethyl(2-thiocyanatoethyl)amino]phenyl]ethanoic acid Openeye Name: 2-[4-[2-chloroethyl(2-thiocyanatoethyl)amino]phenyl]acetic acid CAS Name: 2-[4-[2-chloroethyl(2-thiocyanatoethyl)amino]phenyl]acetic acid IUPAC Name: 2-[4-[2-chloroethyl(2-thiocyanatoethyl)amino]phenyl]acetic acid Traditional Name: 2-[4-[2-chloroethyl(2-thiocyanatoethyl)amino]phenyl]acetic acid Formula: C13H15ClN2O2S MolecularWeight: 298.7884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)N(CCSC#N)CCCl

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)N(CCSC#N)CCCl

InChI

InChI=1S/C13H15ClN2O2S/c14-5-6-16(7-8-19-10-15)12-3-1-11(2-4-12)9-13(17)18/h1-4H,5-9H2,(H,17,18)