1,5-bis(1-hexadecyl-2-methyl-indol-3-yl)pentane-1,5-dione

Systemtic Name: 1,5-bis(1-hexadecyl-2-methyl-indol-3-yl)pentane-1,5-dione Openeye Name: 1,5-bis(1-hexadecyl-2-methyl-indol-3-yl)pentane-1,5-dione CAS Name: 1,5-bis(1-hexadecyl-2-methyl-3-indolyl)pentane-1,5-dione IUPAC Name: 1,5-bis(1-hexadecyl-2-methylindol-3-yl)pentane-1,5-dione Traditional Name: 1,5-bis(1-cetyl-2-methyl-indol-3-yl)pentane-1,5-dione Formula: C55H86N2O2 MolecularWeight: 807.28354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=C(C2=CC=CC=C21)C(=O)CCCC(=O)C3=C(N(C4=CC=CC=C43)CCCCCCCCCCCCCCCC)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=C(C2=CC=CC=C21)C(=O)CCCC(=O)C3=C(N(C4=CC=CC=C43)CCCCCCCCCCCCCCCC)C)C

InChI

InChI=1S/C55H86N2O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35-44-56-46(3)54(48-38-31-33-40-50(48)56)52(58)42-37-43-53(59)55-47(4)57(51-41-34-32-39-49(51)55)45-36-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-34,38-41H,5-30,35-37,42-45H2,1-4H3