2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]-5-(2,2-dimethylpropanoyl)benzoate

Systemtic Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]-5-(2,2-dimethylpropanoyl)benzoate Openeye Name: 2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]-5-(2,2-dimethylpropanoyl)benzoate CAS Name: 2-[3-(dimethylamino)-6-dimethyliminio-9-xanthenyl]-5-(2,2-dimethyl-1-oxopropyl)benzoate IUPAC Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-(2,2-dimethylpropanoyl)benzoate Traditional Name: 2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]-5-pivaloyl-benzoate Formula: C29H30N2O4 MolecularWeight: 470.5595

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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