2,3-bis[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]quinoxaline-6-carboxylic acid

Systemtic Name: 2,3-bis[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]quinoxaline-6-carboxylic acid Openeye Name: 2,3-bis[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenyl]quinoxaline-6-carboxylic acid CAS Name: 2,3-bis[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-6-quinoxalinecarboxylic acid IUPAC Name: 2,3-bis[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]quinoxaline-6-carboxylic acid Traditional Name: 2,3-bis[4-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenyl]quinoxaline-6-carboxylic acid Formula: C27H18N2O6 MolecularWeight: 466.44162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)C2=NC3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)C=CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)O)C2=NC3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)/C=C/C(=O)O

InChI

InChI=1S/C27H18N2O6/c30-23(31)13-5-16-1-7-18(8-2-16)25-26(19-9-3-17(4-10-19)6-14-24(32)33)29-22-15-20(27(34)35)11-12-21(22)28-25/h1-15H,(H,30,31)(H,32,33)(H,34,35)/b13-5+,14-6+