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

Systemtic Name: [9-(2-carboxyphenyl)-6-(methylamino)xanthen-3-ylidene]-methyl-azanium perchlorate Openeye Name: [9-(2-carboxyphenyl)-6-(methylamino)xanthen-3-ylidene]-methyl-ammonium perchlorate CAS Name: [9-(2-carboxyphenyl)-6-(methylamino)-3-xanthenylidene]-methylammonium perchlorate IUPAC Name: [9-(2-carboxyphenyl)-6-(methylamino)xanthen-3-ylidene]-methylazanium perchlorate Traditional Name: [9-(2-carboxyphenyl)-6-(methylamino)xanthen-3-ylidene]-methyl-ammonium perchlorate Formula: C22H19ClN2O7 MolecularWeight: 458.84846

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1)C(=C3C=CC(=[NH+]C)C=C3O2)C4=CC=CC=C4C(=O)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CNC1=CC2=C(C=C1)C(=C3C=CC(=[NH+]C)C=C3O2)C4=CC=CC=C4C(=O)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H18N2O3.ClHO4/c1-23-13-7-9-17-19(11-13)27-20-12-14(24-2)8-10-18(20)21(17)15-5-3-4-6-16(15)22(25)26;2-1(3,4)5/h3-12,23H,1-2H3,(H,25,26);(H,2,3,4,5)