4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid; oxaldehydic acid

Systemtic Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid; oxaldehydic acid Openeye Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid; oxaldehydic acid CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid; oxaldehydic acid IUPAC Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid; oxaldehydic acid Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid; glyoxylic acid Formula: C16H21Cl2NO5 MolecularWeight: 378.24764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl.C(=O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl.C(=O)C(=O)O

InChI

InChI=1S/C14H19Cl2NO2.C2H2O3/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19;3-1-2(4)5/h4-7H,1-3,8-11H2,(H,18,19);1H,(H,4,5)