5-[bis(2-chloroethyl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[bis(2-chloroethyl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[bis(2-chloroethyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[bis(2-chloroethyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[bis(2-chloroethyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[bis(2-chloroethyl)amino]isophthalic acid Formula: C12H13Cl2NO4 MolecularWeight: 306.14192

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)N(CCCl)CCCl)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)N(CCCl)CCCl)C(=O)O

InChI

InChI=1S/C12H13Cl2NO4/c13-1-3-15(4-2-14)10-6-8(11(16)17)5-9(7-10)12(18)19/h5-7H,1-4H2,(H,16,17)(H,18,19)