[9-[4-[(3-carboxy-2-oxidanylidene-chromen-7-yl)methylamino]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [9-[4-[(3-carboxy-2-oxidanylidene-chromen-7-yl)methylamino]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [9-[4-[(3-carboxy-2-oxo-chromen-7-yl)methylamino]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [9-[4-[(3-carboxy-2-oxo-1-benzopyran-7-yl)methylamino]phenyl]-6-(dimethylamino)-3-xanthenylidene]-dimethylammonium IUPAC Name: [9-[4-[(3-carboxy-2-oxochromen-7-yl)methylamino]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium Traditional Name: [9-[4-[(3-carboxy-2-keto-chromen-7-yl)methylamino]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium Formula: C34H30N3O5+ MolecularWeight: 560.6191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=C(C=C4)NCC5=CC6=C(C=C5)C=C(C(=O)O6)C(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=C(C=C4)NCC5=CC6=C(C=C5)C=C(C(=O)O6)C(=O)O

InChI

InChI=1S/C34H29N3O5/c1-36(2)24-11-13-26-30(17-24)41-31-18-25(37(3)4)12-14-27(31)32(26)21-7-9-23(10-8-21)35-19-20-5-6-22-16-28(33(38)39)34(40)42-29(22)15-20/h5-18H,19H2,1-4H3,(H,38,39)/p+1