5-bromanyl-4-chloranyl-3-(1H-indol-2-yl)octadecanoic acid

Systemtic Name: 5-bromanyl-4-chloranyl-3-(1H-indol-2-yl)octadecanoic acid Openeye Name: 5-bromo-4-chloro-3-(1H-indol-2-yl)octadecanoic acid CAS Name: 5-bromo-4-chloro-3-(1H-indol-2-yl)octadecanoic acid IUPAC Name: 5-bromo-4-chloro-3-(1H-indol-2-yl)octadecanoic acid Traditional Name: 5-bromo-4-chloro-3-(1H-indol-2-yl)stearic acid Formula: C26H39BrClNO2 MolecularWeight: 512.95036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(C(CC(=O)O)C1=CC2=CC=CC=C2N1)Cl)Br

Isomeric SMILES

CCCCCCCCCCCCCC(C(C(CC(=O)O)C1=CC2=CC=CC=C2N1)Cl)Br

InChI

InChI=1S/C26H39BrClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(27)26(28)21(19-25(30)31)24-18-20-15-13-14-17-23(20)29-24/h13-15,17-18,21-22,26,29H,2-12,16,19H2,1H3,(H,30,31)