4-(12-bromanyloctadecylamino)benzoic acid

Systemtic Name: 4-(12-bromanyloctadecylamino)benzoic acid Openeye Name: 4-(12-bromooctadecylamino)benzoic acid CAS Name: 4-(12-bromooctadecylamino)benzoic acid IUPAC Name: 4-(12-bromooctadecylamino)benzoic acid Traditional Name: 4-(12-bromooctadecylamino)benzoic acid Formula: C25H42BrNO2 MolecularWeight: 468.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCCNC1=CC=C(C=C1)C(=O)O)Br

Isomeric SMILES

CCCCCCC(CCCCCCCCCCCNC1=CC=C(C=C1)C(=O)O)Br

InChI

InChI=1S/C25H42BrNO2/c1-2-3-4-12-15-23(26)16-13-10-8-6-5-7-9-11-14-21-27-24-19-17-22(18-20-24)25(28)29/h17-20,23,27H,2-16,21H2,1H3,(H,28,29)