2-[5,6-bis(azanyl)-4-(carboxymethyloxy)anthracen-1-yl]oxyethanoic acid

Systemtic Name: 2-[5,6-bis(azanyl)-4-(carboxymethyloxy)anthracen-1-yl]oxyethanoic acid Openeye Name: 2-[[5,6-diamino-4-(carboxymethyloxy)-1-anthryl]oxy]acetic acid CAS Name: 2-[[5,6-diamino-4-(carboxymethyloxy)-1-anthracenyl]oxy]acetic acid IUPAC Name: 2-[5,6-diamino-4-(carboxymethyloxy)anthracen-1-yl]oxyacetic acid Traditional Name: 2-[[5,6-diamino-4-(carboxymethyloxy)-1-anthryl]oxy]acetic acid Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=CC3=C(C=CC(=C3C=C21)OCC(=O)O)OCC(=O)O)N)N

Isomeric SMILES

C1=CC(=C(C2=CC3=C(C=CC(=C3C=C21)OCC(=O)O)OCC(=O)O)N)N

InChI

InChI=1S/C18H16N2O6/c19-13-2-1-9-5-11-12(6-10(9)18(13)20)15(26-8-17(23)24)4-3-14(11)25-7-16(21)22/h1-6H,7-8,19-20H2,(H,21,22)(H,23,24)