[9-(2-carboxyphenyl)-6-[(4-dimethylaminophenyl)amino]xanthen-3-ylidene]-(4-dimethylaminophenyl)azanium

Systemtic Name: [9-(2-carboxyphenyl)-6-[(4-dimethylaminophenyl)amino]xanthen-3-ylidene]-(4-dimethylaminophenyl)azanium Openeye Name: [9-(2-carboxyphenyl)-6-[4-(dimethylamino)anilino]xanthen-3-ylidene]-(4-dimethylaminophenyl)ammonium CAS Name: [9-(2-carboxyphenyl)-6-[4-(dimethylamino)anilino]-3-xanthenylidene]-(4-dimethylaminophenyl)ammonium IUPAC Name: [9-(2-carboxyphenyl)-6-[4-(dimethylamino)anilino]xanthen-3-ylidene]-(4-dimethylaminophenyl)azanium Traditional Name: [9-(2-carboxyphenyl)-6-[4-(dimethylamino)anilino]xanthen-3-ylidene]-(4-dimethylaminophenyl)ammonium Formula: C36H33N4O3+ MolecularWeight: 569.67222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=C4C=CC(=[NH+]C5=CC=C(C=C5)N(C)C)C=C4O3)C6=CC=CC=C6C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=C4C=CC(=[NH+]C5=CC=C(C=C5)N(C)C)C=C4O3)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C36H32N4O3/c1-39(2)27-15-9-23(10-16-27)37-25-13-19-31-33(21-25)43-34-22-26(38-24-11-17-28(18-12-24)40(3)4)14-20-32(34)35(31)29-7-5-6-8-30(29)36(41)42/h5-22,37H,1-4H3,(H,41,42)/p+1