benzoic acid; 2-chloranyl-N-(2-chloroethyl)-N-methyl-ethanamine

Systemtic Name: benzoic acid; 2-chloranyl-N-(2-chloroethyl)-N-methyl-ethanamine Openeye Name: benzoic acid; 2-chloro-N-(2-chloroethyl)-N-methyl-ethanamine CAS Name: benzoic acid; 2-chloro-N-(2-chloroethyl)-N-methylethanamine IUPAC Name: benzoic acid; 2-chloro-N-(2-chloroethyl)-N-methylethanamine Traditional Name: benzoic acid; bis(2-chloroethyl)-methyl-amine Formula: C12H17Cl2NO2 MolecularWeight: 278.17488

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCl)CCCl.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CN(CCCl)CCCl.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C7H6O2.C5H11Cl2N/c8-7(9)6-4-2-1-3-5-6;1-8(4-2-6)5-3-7/h1-5H,(H,8,9);2-5H2,1H3