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

Systemtic Name: 2-[4-(aminomethyl)-3-methylidene-6-oxidanyl-xanthen-9-yl]terephthalic acid Openeye Name: 2-[4-(aminomethyl)-6-hydroxy-3-methylene-xanthen-9-yl]terephthalic acid CAS Name: 2-[4-(aminomethyl)-6-hydroxy-3-methylene-9-xanthenyl]terephthalic acid IUPAC Name: 2-[4-(aminomethyl)-6-hydroxy-3-methylidenexanthen-9-yl]terephthalic acid Traditional Name: 2-[4-(aminomethyl)-6-hydroxy-3-methylene-xanthen-9-yl]terephthalic acid Formula: C23H17NO6 MolecularWeight: 403.38418

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C=CC2=C(C3=C(C=C(C=C3)O)OC2=C1CN)C4=C(C=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C=C1C=CC2=C(C3=C(C=C(C=C3)O)OC2=C1CN)C4=C(C=CC(=C4)C(=O)O)C(=O)O

InChI

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