2-[(6-chloranyl-2H-chromen-3-yl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(6-chloranyl-2H-chromen-3-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(6-chloro-2H-chromene-3-carbonyl)amino]terephthalic acid CAS Name: 2-[[(6-chloro-2H-1-benzopyran-3-yl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(6-chloro-2H-chromene-3-carbonyl)amino]terephthalic acid Traditional Name: 2-[(6-chloro-2H-chromene-3-carbonyl)amino]terephthalic acid Formula: C18H12ClNO6 MolecularWeight: 373.74398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H12ClNO6/c19-12-2-4-15-10(6-12)5-11(8-26-15)16(21)20-14-7-9(17(22)23)1-3-13(14)18(24)25/h1-7H,8H2,(H,20,21)(H,22,23)(H,24,25)