2-[bis(2-chloroethyl)amino]-3,5-dimethyl-benzoic acid

Systemtic Name: 2-[bis(2-chloroethyl)amino]-3,5-dimethyl-benzoic acid Openeye Name: 2-[bis(2-chloroethyl)amino]-3,5-dimethyl-benzoic acid CAS Name: 2-[bis(2-chloroethyl)amino]-3,5-dimethylbenzoic acid IUPAC Name: 2-[bis(2-chloroethyl)amino]-3,5-dimethylbenzoic acid Traditional Name: 2-[bis(2-chloroethyl)amino]-3,5-dimethyl-benzoic acid Formula: C13H17Cl2NO2 MolecularWeight: 290.18558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)N(CCCl)CCCl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)N(CCCl)CCCl)C

InChI

InChI=1S/C13H17Cl2NO2/c1-9-7-10(2)12(11(8-9)13(17)18)16(5-3-14)6-4-15/h7-8H,3-6H2,1-2H3,(H,17,18)