2-[3-[(2,6-dimethylphenyl)amino]-6-(2,6-dimethylphenyl)imino-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3-[(2,6-dimethylphenyl)amino]-6-(2,6-dimethylphenyl)imino-xanthen-9-yl]benzoic acid Openeye Name: 2-[3-(2,6-dimethylanilino)-6-(2,6-dimethylphenyl)imino-xanthen-9-yl]benzoic acid CAS Name: 2-[3-(2,6-dimethylanilino)-6-(2,6-dimethylphenyl)imino-9-xanthenyl]benzoic acid IUPAC Name: 2-[3-(2,6-dimethylanilino)-6-(2,6-dimethylphenyl)iminoxanthen-9-yl]benzoic acid Traditional Name: 2-[3-(2,6-dimethylanilino)-6-(2,6-dimethylphenyl)imino-xanthen-9-yl]benzoic acid Formula: C36H30N2O3 MolecularWeight: 538.635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=CC3=C(C=C2)C(=C4C=CC(=NC5=C(C=CC=C5C)C)C=C4O3)C6=CC=CC=C6C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=CC3=C(C=C2)C(=C4C=CC(=NC5=C(C=CC=C5C)C)C=C4O3)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C36H30N2O3/c1-21-9-7-10-22(2)34(21)37-25-15-17-29-31(19-25)41-32-20-26(38-35-23(3)11-8-12-24(35)4)16-18-30(32)33(29)27-13-5-6-14-28(27)36(39)40/h5-20,37H,1-4H3,(H,39,40)