3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)-N-prop-2-enyl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)-N-prop-2-enyl-propan-1-amine; ethanedioic acid Openeye Name: N-allyl-3-(2-bromo-6-chloro-4-methyl-phenoxy)propan-1-amine; oxalic acid CAS Name: 3-(2-bromo-6-chloro-4-methylphenoxy)-N-prop-2-enyl-1-propanamine; oxalic acid IUPAC Name: 3-(2-bromo-6-chloro-4-methylphenoxy)-N-prop-2-enylpropan-1-amine; oxalic acid Traditional Name: allyl-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl]amine; oxalic acid Formula: C15H19BrClNO5 MolecularWeight: 408.67206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCNCC=C)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCNCC=C)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H17BrClNO.C2H2O4/c1-3-5-16-6-4-7-17-13-11(14)8-10(2)9-12(13)15;3-1(4)2(5)6/h3,8-9,16H,1,4-7H2,2H3;(H,3,4)(H,5,6)