2-[10-(dimethylamino)-3-oxidanylidene-benzo[c]xanthen-7-yl]terephthalic acid

Systemtic Name: 2-[10-(dimethylamino)-3-oxidanylidene-benzo[c]xanthen-7-yl]terephthalic acid Openeye Name: 2-[10-(dimethylamino)-3-oxo-benzo[c]xanthen-7-yl]terephthalic acid CAS Name: 2-[10-(dimethylamino)-3-oxo-7-benzo[c]xanthenyl]terephthalic acid IUPAC Name: 2-[10-(dimethylamino)-3-oxobenzo[c]xanthen-7-yl]terephthalic acid Traditional Name: 2-[10-(dimethylamino)-3-keto-benzo[c]xanthen-7-yl]terephthalic acid Formula: C27H19NO6 MolecularWeight: 453.44286

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC4=CC(=O)C=CC4=C3O2)C5=C(C=CC(=C5)C(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC4=CC(=O)C=CC4=C3O2)C5=C(C=CC(=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C27H19NO6/c1-28(2)16-5-9-20-23(13-16)34-25-18-10-6-17(29)11-14(18)3-8-21(25)24(20)22-12-15(26(30)31)4-7-19(22)27(32)33/h3-13H,1-2H3,(H,30,31)(H,32,33)