2-[bis(2-chloroethyl)aminomethyl]-4-tert-butyl-6-phenyl-phenol hydrochloride

Systemtic Name: 2-[bis(2-chloroethyl)aminomethyl]-4-tert-butyl-6-phenyl-phenol hydrochloride Openeye Name: 2-[bis(2-chloroethyl)aminomethyl]-4-tert-butyl-6-phenyl-phenol hydrochloride CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-4-tert-butyl-6-phenylphenol hydrochloride IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]-4-tert-butyl-6-phenylphenol hydrochloride Traditional Name: 2-[bis(2-chloroethyl)aminomethyl]-4-tert-butyl-6-phenyl-phenol hydrochloride Formula: C21H28Cl3NO MolecularWeight: 416.81212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C2=CC=CC=C2)O)CN(CCCl)CCCl.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C2=CC=CC=C2)O)CN(CCCl)CCCl.Cl

InChI

InChI=1S/C21H27Cl2NO.ClH/c1-21(2,3)18-13-17(15-24(11-9-22)12-10-23)20(25)19(14-18)16-7-5-4-6-8-16;/h4-8,13-14,25H,9-12,15H2,1-3H3;1H