3-dodecanoyl-1-(6-oxidanyl-6-oxidanylidene-hexyl)indole-2-carboxylic acid

Systemtic Name: 3-dodecanoyl-1-(6-oxidanyl-6-oxidanylidene-hexyl)indole-2-carboxylic acid Openeye Name: 3-dodecanoyl-1-(6-hydroxy-6-oxo-hexyl)indole-2-carboxylic acid CAS Name: 1-(6-hydroxy-6-oxohexyl)-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 3-dodecanoyl-1-(6-hydroxy-6-oxohexyl)indole-2-carboxylic acid Traditional Name: 1-(6-hydroxy-6-keto-hexyl)-3-lauroyl-indole-2-carboxylic acid Formula: C27H39NO5 MolecularWeight: 457.60226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCCCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C27H39NO5/c1-2-3-4-5-6-7-8-9-11-18-23(29)25-21-16-13-14-17-22(21)28(26(25)27(32)33)20-15-10-12-19-24(30)31/h13-14,16-17H,2-12,15,18-20H2,1H3,(H,30,31)(H,32,33)