dioctadecyl 4-[3-(dodecylamino)-6-dodecylimino-2,7-dimethyl-xanthen-9-yl]benzene-1,3-dicarboxylate

Systemtic Name: dioctadecyl 4-[3-(dodecylamino)-6-dodecylimino-2,7-dimethyl-xanthen-9-yl]benzene-1,3-dicarboxylate Openeye Name: dioctadecyl 4-[3-(dodecylamino)-6-dodecylimino-2,7-dimethyl-xanthen-9-yl]benzene-1,3-dicarboxylate CAS Name: 4-[3-(dodecylamino)-6-dodecylimino-2,7-dimethyl-9-xanthenyl]benzene-1,3-dicarboxylic acid dioctadecyl ester IUPAC Name: dioctadecyl 4-[3-(dodecylamino)-6-dodecylimino-2,7-dimethylxanthen-9-yl]benzene-1,3-dicarboxylate Traditional Name: 4-[3-(laurylamino)-6-laurylimino-2,7-dimethyl-xanthen-9-yl]benzene-1,3-dicarboxylic acid distearyl ester Formula: C83H138N2O5 MolecularWeight: 1243.99422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C2=C3C=C(C(=NCCCCCCCCCCCC)C=C3OC4=CC(=C(C=C42)C)NCCCCCCCCCCCC)C)C(=O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C2=C3C=C(C(=NCCCCCCCCCCCC)C=C3OC4=CC(=C(C=C42)C)NCCCCCCCCCCCC)C)C(=O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C83H138N2O5/c1-7-11-15-19-23-27-31-33-35-37-39-41-45-49-53-57-63-88-82(86)72-59-60-73(74(67-72)83(87)89-64-58-54-50-46-42-40-38-36-34-32-28-24-20-16-12-8-2)81-75-65-70(5)77(84-61-55-51-47-43-29-25-21-17-13-9-3)68-79(75)90-80-69-78(71(6)66-76(80)81)85-62-56-52-48-44-30-26-22-18-14-10-4/h59-60,65-69,84H,7-58,61-64H2,1-6H3