3-octadecanoyl-1-(8-oxidanyl-8-oxidanylidene-octyl)indole-2-carboxylic acid

Systemtic Name: 3-octadecanoyl-1-(8-oxidanyl-8-oxidanylidene-octyl)indole-2-carboxylic acid Openeye Name: 1-(8-hydroxy-8-oxo-octyl)-3-octadecanoyl-indole-2-carboxylic acid CAS Name: 1-(8-hydroxy-8-oxooctyl)-3-(1-oxooctadecyl)-2-indolecarboxylic acid IUPAC Name: 1-(8-hydroxy-8-oxooctyl)-3-octadecanoylindole-2-carboxylic acid Traditional Name: 1-(8-hydroxy-8-keto-octyl)-3-stearoyl-indole-2-carboxylic acid Formula: C35H55NO5 MolecularWeight: 569.8149

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCCCCCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCCCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C35H55NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-26-31(37)33-29-24-21-22-25-30(29)36(34(33)35(40)41)28-23-18-15-17-20-27-32(38)39/h21-22,24-25H,2-20,23,26-28H2,1H3,(H,38,39)(H,40,41)