2-[6,7-bis(azanyl)-4-(carboxymethyloxy)anthracen-1-yl]oxyethanoic acid

Systemtic Name: 2-[6,7-bis(azanyl)-4-(carboxymethyloxy)anthracen-1-yl]oxyethanoic acid Openeye Name: 2-[[6,7-diamino-4-(carboxymethyloxy)-1-anthryl]oxy]acetic acid CAS Name: 2-[[6,7-diamino-4-(carboxymethyloxy)-1-anthracenyl]oxy]acetic acid IUPAC Name: 2-[6,7-diamino-4-(carboxymethyloxy)anthracen-1-yl]oxyacetic acid Traditional Name: 2-[[6,7-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(=C2C=C3C=C(C(=CC3=CC2=C1OCC(=O)O)N)N)OCC(=O)O

Isomeric SMILES

C1=CC(=C2C=C3C=C(C(=CC3=CC2=C1OCC(=O)O)N)N)OCC(=O)O

InChI

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