2-[3-(3-dotriacontoxypropylamino)-6-methylimino-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3-(3-dotriacontoxypropylamino)-6-methylimino-xanthen-9-yl]benzoic acid Openeye Name: 2-[3-(3-dotriacontoxypropylamino)-6-methylimino-xanthen-9-yl]benzoic acid CAS Name: 2-[3-(3-dotriacontoxypropylamino)-6-methylimino-9-xanthenyl]benzoic acid IUPAC Name: 2-[3-(3-dotriacontoxypropylamino)-6-methyliminoxanthen-9-yl]benzoic acid Traditional Name: 2-[3-(3-dotriacontoxypropylamino)-6-methylimino-xanthen-9-yl]benzoic acid Formula: C56H86N2O4 MolecularWeight: 851.29304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCCCNC1=CC2=C(C=C1)C(=C3C=CC(=NC)C=C3O2)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCCCNC1=CC2=C(C=C1)C(=C3C=CC(=NC)C=C3O2)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C56H86N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-43-61-44-35-42-58-48-39-41-52-54(46-48)62-53-45-47(57-2)38-40-51(53)55(52)49-36-32-33-37-50(49)56(59)60/h32-33,36-41,45-46,58H,3-31,34-35,42-44H2,1-2H3,(H,59,60)