[9-(2-carboxyphenyl)-6-(3-dotriacontoxypropylamino)xanthen-3-ylidene]-methyl-azanium

Systemtic Name: [9-(2-carboxyphenyl)-6-(3-dotriacontoxypropylamino)xanthen-3-ylidene]-methyl-azanium Openeye Name: [9-(2-carboxyphenyl)-6-(3-dotriacontoxypropylamino)xanthen-3-ylidene]-methyl-ammonium CAS Name: [9-(2-carboxyphenyl)-6-(3-dotriacontoxypropylamino)-3-xanthenylidene]-methylammonium IUPAC Name: [9-(2-carboxyphenyl)-6-(3-dotriacontoxypropylamino)xanthen-3-ylidene]-methylazanium Traditional Name: [9-(2-carboxyphenyl)-6-(3-dotriacontoxypropylamino)xanthen-3-ylidene]-methyl-ammonium Formula: C56H87N2O4+ MolecularWeight: 852.30098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCCCNC1=CC2=C(C=C1)C(=C3C=CC(=[NH+]C)C=C3O2)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCCCNC1=CC2=C(C=C1)C(=C3C=CC(=[NH+]C)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)/p+1