4,7-di(heptadecyl)-6-octadecan-5-yl-6,10,10a,10b-tetrahydro-1H-1,10-phenanthrolin-5-one

Systemtic Name: 4,7-di(heptadecyl)-6-octadecan-5-yl-6,10,10a,10b-tetrahydro-1H-1,10-phenanthrolin-5-one Openeye Name: 6-(1-butyltetradecyl)-4,7-di(heptadecyl)-6,10,10a,10b-tetrahydro-1H-1,10-phenanthrolin-5-one CAS Name: 4,7-di(heptadecyl)-6-octadecan-5-yl-6,10,10a,10b-tetrahydro-1H-1,10-phenanthrolin-5-one IUPAC Name: 4,7-di(heptadecyl)-6-octadecan-5-yl-6,10,10a,10b-tetrahydro-1H-1,10-phenanthrolin-5-one Traditional Name: 6-(1-butyltetradecyl)-4,7-di(heptadecyl)-6,10,10a,10b-tetrahydro-1H-1,10-phenanthrolin-5-one Formula: C64H116N2O MolecularWeight: 929.61864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C2C(C3C(=C(C=CN3)CCCCCCCCCCCCCCCCC)C(=O)C2C(CCCC)CCCCCCCCCCCCC)NC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C2C(C3C(=C(C=CN3)CCCCCCCCCCCCCCCCC)C(=O)C2C(CCCC)CCCCCCCCCCCCC)NC=C1

InChI

InChI=1S/C64H116N2O/c1-5-9-13-16-19-22-25-27-29-31-34-37-40-43-46-50-57-52-54-65-62-59(57)60(56(48-12-8-4)49-45-42-39-36-33-24-21-18-15-11-7-3)64(67)61-58(53-55-66-63(61)62)51-47-44-41-38-35-32-30-28-26-23-20-17-14-10-6-2/h52-56,60,62-63,65-66H,5-51H2,1-4H3