4-[bis(3-methoxy-4-oxidanyl-phenyl)methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one; sodium; sulfurous acid

Systemtic Name: 4-[bis(3-methoxy-4-oxidanyl-phenyl)methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one; sodium; sulfurous acid Openeye Name: 4-[bis(4-hydroxy-3-methoxy-phenyl)methylene]-2-methoxy-cyclohexa-2,5-dien-1-one; sodium; sulfurous acid CAS Name: 4-[bis(4-hydroxy-3-methoxyphenyl)methylidene]-2-methoxy-1-cyclohexa-2,5-dienone; sodium; sulfurous acid IUPAC Name: 4-[bis(4-hydroxy-3-methoxyphenyl)methylidene]-2-methoxycyclohexa-2,5-dien-1-one; sodium; sulfurous acid Traditional Name: 4-[bis(4-hydroxy-3-methoxy-phenyl)methylene]-2-methoxy-cyclohexa-2,5-dien-1-one; sodium; sulfurous acid Formula: C22H22NaO9S MolecularWeight: 485.45945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C=CC1=O.OS(=O)O.[Na]

Isomeric SMILES

COC1=CC(=C(C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C=CC1=O.OS(=O)O.[Na]

InChI

InChI=1S/C22H20O6.Na.H2O3S/c1-26-19-10-13(4-7-16(19)23)22(14-5-8-17(24)20(11-14)27-2)15-6-9-18(25)21(12-15)28-3;;1-4(2)3/h4-12,23-24H,1-3H3;;(H2,1,2,3)