2-[3-(2-bromanyl-4-methyl-phenoxy)propylamino]ethanol; ethanedioic acid

Systemtic Name: 2-[3-(2-bromanyl-4-methyl-phenoxy)propylamino]ethanol; ethanedioic acid Openeye Name: 2-[3-(2-bromo-4-methyl-phenoxy)propylamino]ethanol; oxalic acid CAS Name: 2-[3-(2-bromo-4-methylphenoxy)propylamino]ethanol; oxalic acid IUPAC Name: 2-[3-(2-bromo-4-methylphenoxy)propylamino]ethanol; oxalic acid Traditional Name: 2-[3-(2-bromo-4-methyl-phenoxy)propylamino]ethanol; oxalic acid Formula: C14H20BrNO6 MolecularWeight: 378.2157

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCNCCO)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCNCCO)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18BrNO2.C2H2O4/c1-10-3-4-12(11(13)9-10)16-8-2-5-14-6-7-15;3-1(4)2(5)6/h3-4,9,14-15H,2,5-8H2,1H3;(H,3,4)(H,5,6)