iron; [4-oxidaniumylidene-4-[4-(3-oxidanylidenebutanoyl)phenyl]butan-2-ylidene]oxidanium

Systemtic Name: iron; [4-oxidaniumylidene-4-[4-(3-oxidanylidenebutanoyl)phenyl]butan-2-ylidene]oxidanium Openeye Name: iron; [1-methyl-3-[4-(3-oxobutanoyl)phenyl]-3-oxoniumylidene-propylidene]oxonium CAS Name: [4-[4-(1,3-dioxobutyl)phenyl]-4-oxoniumylidenebutan-2-ylidene]oxonium; iron IUPAC Name: iron; [4-[4-(3-oxobutanoyl)phenyl]-4-oxoniumylidenebutan-2-ylidene]oxidanium Traditional Name: [3-(4-acetoacetylphenyl)-1-methyl-3-oxoniumylidene-propylidene]oxonium; iron Formula: C14H16FeO4+2 MolecularWeight: 304.11944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=[OH+])CC(=[OH+])C1=CC=C(C=C1)C(=O)CC(=O)C.[Fe]

Isomeric SMILES

CC(=[OH+])CC(=[OH+])C1=CC=C(C=C1)C(=O)CC(=O)C.[Fe]

InChI

InChI=1S/C14H14O4.Fe/c1-9(15)7-13(17)11-3-5-12(6-4-11)14(18)8-10(2)16;/h3-6H,7-8H2,1-2H3;/p+2