4,6-bis[bis(2-chloroethyl)aminomethyl]-2-methyl-benzene-1,3-diol

Systemtic Name: 4,6-bis[bis(2-chloroethyl)aminomethyl]-2-methyl-benzene-1,3-diol Openeye Name: 4,6-bis[bis(2-chloroethyl)aminomethyl]-2-methyl-benzene-1,3-diol CAS Name: 4,6-bis[bis(2-chloroethyl)aminomethyl]-2-methylbenzene-1,3-diol IUPAC Name: 4,6-bis[bis(2-chloroethyl)aminomethyl]-2-methylbenzene-1,3-diol Traditional Name: 4,6-bis[bis(2-chloroethyl)aminomethyl]-2-methyl-resorcinol Formula: C17H26Cl4N2O2 MolecularWeight: 432.21254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1O)CN(CCCl)CCCl)CN(CCCl)CCCl)O

Isomeric SMILES

CC1=C(C(=CC(=C1O)CN(CCCl)CCCl)CN(CCCl)CCCl)O

InChI

InChI=1S/C17H26Cl4N2O2/c1-13-16(24)14(11-22(6-2-18)7-3-19)10-15(17(13)25)12-23(8-4-20)9-5-21/h10,24-25H,2-9,11-12H2,1H3