2-[3-(methylamino)-6-methylimino-xanthen-9-yl]terephthalic acid

Systemtic Name: 2-[3-(methylamino)-6-methylimino-xanthen-9-yl]terephthalic acid Openeye Name: 2-[3-(methylamino)-6-methylimino-xanthen-9-yl]terephthalic acid CAS Name: 2-[3-(methylamino)-6-methylimino-9-xanthenyl]terephthalic acid IUPAC Name: 2-[3-(methylamino)-6-methyliminoxanthen-9-yl]terephthalic acid Traditional Name: 2-[3-(methylamino)-6-methylimino-xanthen-9-yl]terephthalic acid Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1)C(=C3C=CC(=NC)C=C3O2)C4=C(C=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

CNC1=CC2=C(C=C1)C(=C3C=CC(=NC)C=C3O2)C4=C(C=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C23H18N2O5/c1-24-13-4-7-16-19(10-13)30-20-11-14(25-2)5-8-17(20)21(16)18-9-12(22(26)27)3-6-15(18)23(28)29/h3-11,24H,1-2H3,(H,26,27)(H,28,29)