2-[4-(aminomethyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]terephthalic acid

Systemtic Name: 2-[4-(aminomethyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]terephthalic acid Openeye Name: 2-[4-(aminomethyl)-3-hydroxy-6-oxo-xanthen-9-yl]terephthalic acid CAS Name: 2-[4-(aminomethyl)-3-hydroxy-6-oxo-9-xanthenyl]terephthalic acid IUPAC Name: 2-[4-(aminomethyl)-3-hydroxy-6-oxoxanthen-9-yl]terephthalic acid Traditional Name: 2-[4-(aminomethyl)-3-hydroxy-6-keto-xanthen-9-yl]terephthalic acid Formula: C22H15NO7 MolecularWeight: 405.357

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4CN)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4CN)O)C(=O)O

InChI

InChI=1S/C22H15NO7/c23-9-16-17(25)6-5-14-19(13-4-2-11(24)8-18(13)30-20(14)16)15-7-10(21(26)27)1-3-12(15)22(28)29/h1-8,25H,9,23H2,(H,26,27)(H,28,29)