3,4,6-tris(bromanyl)-2-(octadecylcarbamoyl)benzoic acid

Systemtic Name: 3,4,6-tris(bromanyl)-2-(octadecylcarbamoyl)benzoic acid Openeye Name: 3,4,6-tribromo-2-(octadecylcarbamoyl)benzoic acid CAS Name: 3,4,6-tribromo-2-[(octadecylamino)-oxomethyl]benzoic acid IUPAC Name: 3,4,6-tribromo-2-(octadecylcarbamoyl)benzoic acid Traditional Name: 3,4,6-tribromo-2-(stearylcarbamoyl)benzoic acid Formula: C26H40Br3NO3 MolecularWeight: 654.3127

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C(=CC(=C1Br)Br)Br)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C(=CC(=C1Br)Br)Br)C(=O)O

InChI

InChI=1S/C26H40Br3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-25(31)23-22(26(32)33)20(27)19-21(28)24(23)29/h19H,2-18H2,1H3,(H,30,31)(H,32,33)