2,3,4,5-tetrakis(bromanyl)-6-(phenethylcarbamoyl)benzoic acid

Systemtic Name: 2,3,4,5-tetrakis(bromanyl)-6-(phenethylcarbamoyl)benzoic acid Openeye Name: 2,3,4,5-tetrabromo-6-(phenethylcarbamoyl)benzoic acid CAS Name: 2,3,4,5-tetrabromo-6-[oxo-(phenethylamino)methyl]benzoic acid IUPAC Name: 2,3,4,5-tetrabromo-6-(phenethylcarbamoyl)benzoic acid Traditional Name: 2,3,4,5-tetrabromo-6-(phenethylcarbamoyl)benzoic acid Formula: C16H11Br4NO3 MolecularWeight: 584.87944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=C(C(=C(C(=C2Br)Br)Br)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=C(C(=C(C(=C2Br)Br)Br)Br)C(=O)O

InChI

InChI=1S/C16H11Br4NO3/c17-11-9(10(16(23)24)12(18)14(20)13(11)19)15(22)21-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,21,22)(H,23,24)