2-[(E)-2-(5-carboxy-3-methoxy-2-oxidanyl-phenyl)ethenyl]-8-methoxy-chromenylium-6-carboxylic acid

Systemtic Name: 2-[(E)-2-(5-carboxy-3-methoxy-2-oxidanyl-phenyl)ethenyl]-8-methoxy-chromenylium-6-carboxylic acid Openeye Name: 2-[(E)-2-(5-carboxy-2-hydroxy-3-methoxy-phenyl)vinyl]-8-methoxy-chromenylium-6-carboxylic acid CAS Name: 2-[(E)-2-(5-carboxy-2-hydroxy-3-methoxyphenyl)ethenyl]-8-methoxy-1-benzopyrylium-6-carboxylic acid IUPAC Name: 2-[(E)-2-(5-carboxy-2-hydroxy-3-methoxyphenyl)ethenyl]-8-methoxychromenylium-6-carboxylic acid Traditional Name: 2-[(E)-2-(5-carboxy-2-hydroxy-3-methoxy-phenyl)vinyl]-8-methoxy-1-benzopyrylium-6-carboxylic acid Formula: C21H17O8+ MolecularWeight: 397.35488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C=CC2=[O+]C3=C(C=C(C=C3C=C2)C(=O)O)OC)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)/C=C/C2=[O+]C3=C(C=C(C=C3C=C2)C(=O)O)OC)C(=O)O

InChI

InChI=1S/C21H16O8/c1-27-16-9-13(20(23)24)7-11(18(16)22)3-5-15-6-4-12-8-14(21(25)26)10-17(28-2)19(12)29-15/h3-10H,1-2H3,(H2-,22,23,24,25,26)/p+1/b5-3+