[9-[2-carboxy-4-(2,2-dimethylpropanoyl)phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [9-[2-carboxy-4-(2,2-dimethylpropanoyl)phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [9-[2-carboxy-4-(2,2-dimethylpropanoyl)phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [9-[2-carboxy-4-(2,2-dimethyl-1-oxopropyl)phenyl]-6-(dimethylamino)-3-xanthenylidene]-dimethylammonium IUPAC Name: [9-[2-carboxy-4-(2,2-dimethylpropanoyl)phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium Traditional Name: [9-(2-carboxy-4-pivaloyl-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium Formula: C29H31N2O4+ MolecularWeight: 471.56744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=CC(=C(C=C1)C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)C1=CC(=C(C=C1)C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C)C(=O)O

InChI

InChI=1S/C29H30N2O4/c1-29(2,3)27(32)17-8-11-20(23(14-17)28(33)34)26-21-12-9-18(30(4)5)15-24(21)35-25-16-19(31(6)7)10-13-22(25)26/h8-16H,1-7H3/p+1