4-[bis(2-bromoethyl)amino]phenol; 2,6-dimethylbenzoic acid

Systemtic Name: 4-[bis(2-bromoethyl)amino]phenol; 2,6-dimethylbenzoic acid Openeye Name: 4-[bis(2-bromoethyl)amino]phenol; 2,6-dimethylbenzoic acid CAS Name: 4-[bis(2-bromoethyl)amino]phenol; 2,6-dimethylbenzoic acid IUPAC Name: 4-[bis(2-bromoethyl)amino]phenol; 2,6-dimethylbenzoic acid Traditional Name: 4-[bis(2-bromoethyl)amino]phenol; 2,6-xylic acid Formula: C19H23Br2NO3 MolecularWeight: 473.19882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=O)O.C1=CC(=CC=C1N(CCBr)CCBr)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=O)O.C1=CC(=CC=C1N(CCBr)CCBr)O

InChI

InChI=1S/C10H13Br2NO.C9H10O2/c11-5-7-13(8-6-12)9-1-3-10(14)4-2-9;1-6-4-3-5-7(2)8(6)9(10)11/h1-4,14H,5-8H2;3-5H,1-2H3,(H,10,11)