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

Systemtic Name: 2-[4-(aminomethyl)-6-methyl-3-oxidanylidene-xanthen-9-yl]terephthalic acid Openeye Name: 2-[4-(aminomethyl)-6-methyl-3-oxo-xanthen-9-yl]terephthalic acid CAS Name: 2-[4-(aminomethyl)-6-methyl-3-oxo-9-xanthenyl]terephthalic acid IUPAC Name: 2-[4-(aminomethyl)-6-methyl-3-oxoxanthen-9-yl]terephthalic acid Traditional Name: 2-[4-(aminomethyl)-3-keto-6-methyl-xanthen-9-yl]terephthalic acid Formula: C23H17NO6 MolecularWeight: 403.38418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C3C=CC(=O)C(=C3O2)CN)C4=C(C=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C3C=CC(=O)C(=C3O2)CN)C4=C(C=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C23H17NO6/c1-11-2-4-14-19(8-11)30-21-15(6-7-18(25)17(21)10-24)20(14)16-9-12(22(26)27)3-5-13(16)23(28)29/h2-9H,10,24H2,1H3,(H,26,27)(H,28,29)