2-[6-azanyl-2-(2-carboxyethyl)-3-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[6-azanyl-2-(2-carboxyethyl)-3-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[6-amino-2-(2-carboxyethyl)-3-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[6-amino-2-(2-carboxyethyl)-3-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[6-amino-2-(2-carboxyethyl)-3-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[6-amino-2-(2-carboxyethyl)-3-keto-xanthen-9-yl]benzoic acid Formula: C23H17NO6 MolecularWeight: 403.38418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C2C=CC(=C4)N)CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C2C=CC(=C4)N)CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H17NO6/c24-13-6-7-16-19(10-13)30-20-11-18(25)12(5-8-21(26)27)9-17(20)22(16)14-3-1-2-4-15(14)23(28)29/h1-4,6-7,9-11H,5,8,24H2,(H,26,27)(H,28,29)