2-(3-diethylazaniumylidene-6-methyl-xanthen-9-yl)benzoate

Systemtic Name: 2-(3-diethylazaniumylidene-6-methyl-xanthen-9-yl)benzoate Openeye Name: 2-(3-diethyliminio-6-methyl-xanthen-9-yl)benzoate CAS Name: 2-(3-diethyliminio-6-methyl-9-xanthenyl)benzoate IUPAC Name: 2-(3-diethylazaniumylidene-6-methylxanthen-9-yl)benzoate Traditional Name: 2-(3-diethyliminio-6-methyl-xanthen-9-yl)benzoate Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C1C=CC2=C(C3=C(C=C(C=C3)C)OC2=C1)C4=CC=CC=C4C(=O)[O-])CC

Isomeric SMILES

CC[N+](=C1C=CC2=C(C3=C(C=C(C=C3)C)OC2=C1)C4=CC=CC=C4C(=O)[O-])CC

InChI

InChI=1S/C25H23NO3/c1-4-26(5-2)17-11-13-21-23(15-17)29-22-14-16(3)10-12-20(22)24(21)18-8-6-7-9-19(18)25(27)28/h6-15H,4-5H2,1-3H3