sodium 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate

Systemtic Name: sodium 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate Openeye Name: sodium 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate CAS Name: sodium 3-[bis(2-chloroethyl)amino]-4-methylbenzoate IUPAC Name: sodium 3-[bis(2-chloroethyl)amino]-4-methylbenzoate Traditional Name: sodium 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate Formula: C12H14Cl2NNaO2 MolecularWeight: 298.14083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])N(CCCl)CCCl.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])N(CCCl)CCCl.[Na+]

InChI

InChI=1S/C12H15Cl2NO2.Na/c1-9-2-3-10(12(16)17)8-11(9)15(6-4-13)7-5-14;/h2-3,8H,4-7H2,1H3,(H,16,17);/q;+1/p-1