2-[3-(dimethylamino)-6-dimethylazaniumylidene-10,10-dimethyl-anthracen-9-yl]benzoate

Systemtic Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidene-10,10-dimethyl-anthracen-9-yl]benzoate Openeye Name: 2-[3-(dimethylamino)-6-dimethyliminio-10,10-dimethyl-9-anthryl]benzoate CAS Name: 2-[3-(dimethylamino)-6-dimethyliminio-10,10-dimethyl-9-anthracenyl]benzoate IUPAC Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidene-10,10-dimethylanthracen-9-yl]benzoate Traditional Name: 2-[3-(dimethylamino)-6-dimethyliminio-10,10-dimethyl-9-anthryl]benzoate Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=[N+](C)C)C=CC2=C(C3=C1C=C(C=C3)N(C)C)C4=CC=CC=C4C(=O)[O-])C

Isomeric SMILES

CC1(C2=CC(=[N+](C)C)C=CC2=C(C3=C1C=C(C=C3)N(C)C)C4=CC=CC=C4C(=O)[O-])C

InChI

InChI=1S/C27H28N2O2/c1-27(2)23-15-17(28(3)4)11-13-21(23)25(19-9-7-8-10-20(19)26(30)31)22-14-12-18(29(5)6)16-24(22)27/h7-16H,1-6H3