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1-dodecyl-3-octadecanoyl-indole-2-carboxylic acid

1-dodecyl-3-octadecanoyl-indole-2-carboxylic acid

Systemtic Name:1-dodecyl-3-octadecanoyl-indole-2-carboxylic acid
Openeye Name:1-dodecyl-3-octadecanoyl-indole-2-carboxylic acid
CAS Name:1-dodecyl-3-(1-oxooctadecyl)-2-indolecarboxylic acid
IUPAC Name:1-dodecyl-3-octadecanoylindole-2-carboxylic acid
Traditional Name:1-lauryl-3-stearoyl-indole-2-carboxylic acid
Formula: C39H65NO3
MolecularWeight: 595.9383
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C39H65NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-32-36(41)37-34-30-27-28-31-35(34)40(38(37)39(42)43)33-29-25-23-21-14-12-10-8-6-4-2/h27-28,30-31H,3-26,29,32-33H2,1-2H3,(H,42,43)


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