2-(10,10-dimethyl-3-oxidaniumyl-6-oxidanylidene-anthracen-9-yl)benzoate

Systemtic Name: 2-(10,10-dimethyl-3-oxidaniumyl-6-oxidanylidene-anthracen-9-yl)benzoate Openeye Name: 2-(10,10-dimethyl-3-oxo-6-oxonio-9-anthryl)benzoate CAS Name: 2-(10,10-dimethyl-3-oxo-6-oxonio-9-anthracenyl)benzoate IUPAC Name: 2-(10,10-dimethyl-3-oxo-6-oxonioanthracen-9-yl)benzoate Traditional Name: 2-(3-keto-10,10-dimethyl-6-oxonio-9-anthryl)benzoate Formula: C23H18O4 MolecularWeight: 358.38662

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=O)C=CC2=C(C3=C1C=C(C=C3)[OH2+])C4=CC=CC=C4C(=O)[O-])C

Isomeric SMILES

CC1(C2=CC(=O)C=CC2=C(C3=C1C=C(C=C3)[OH2+])C4=CC=CC=C4C(=O)[O-])C

InChI

InChI=1S/C23H18O4/c1-23(2)19-11-13(24)7-9-17(19)21(18-10-8-14(25)12-20(18)23)15-5-3-4-6-16(15)22(26)27/h3-12,24H,1-2H3,(H,26,27)