(2S)-2-ethanoyl-4-oxidanylidene-pentane-1-thiolate; (7Z)-7-[[(5Z)-4-ethenyl-5-[[(5Z)-4-ethenyl-3-methyl-5-[[3-methyl-4-(3-oxidanylidenebutyl)pyrrol-1-id-2-yl]methylidene]pyrrol-2-yl]methylidene]-3-methyl-pyrrol-2-yl]methylidene]-2-oxidanylidene-3,4-dihydropyrano[2,3-c]pyrrol-5-olate; iron(3+)

Systemtic Name: (2S)-2-ethanoyl-4-oxidanylidene-pentane-1-thiolate; (7Z)-7-[[(5Z)-4-ethenyl-5-[[(5Z)-4-ethenyl-3-methyl-5-[[3-methyl-4-(3-oxidanylidenebutyl)pyrrol-1-id-2-yl]methylidene]pyrrol-2-yl]methylidene]-3-methyl-pyrrol-2-yl]methylidene]-2-oxidanylidene-3,4-dihydropyrano[2,3-c]pyrrol-5-olate; iron(3+) Openeye Name: ferric; (2S)-2-acetyl-4-oxo-pentane-1-thiolate; (7Z)-7-[[(5Z)-3-methyl-5-[[(5Z)-3-methyl-5-[[3-methyl-4-(3-oxobutyl)pyrrol-1-id-2-yl]methylene]-4-vinyl-pyrrol-2-yl]methylene]-4-vinyl-pyrrol-2-yl]methylene]-2-oxo-3,4-dihydropyrano[2,3-c]pyrrol-5-olate CAS Name: (2S)-2-acetyl-4-oxo-1-pentanethiolate; (7Z)-7-[[(5Z)-4-ethenyl-5-[[(5Z)-4-ethenyl-3-methyl-5-[[3-methyl-4-(3-oxobutyl)-2-pyrrol-1-idyl]methylidene]-2-pyrrolyl]methylidene]-3-methyl-2-pyrrolyl]methylidene]-2-oxo-3,4-dihydropyrano[2,3-c]pyrrol-5-olate; iron(3+) IUPAC Name: (2S)-2-acetyl-4-oxopentane-1-thiolate; (7Z)-7-[[(5Z)-4-ethenyl-5-[[(5Z)-4-ethenyl-3-methyl-5-[[3-methyl-4-(3-oxobutyl)pyrrol-1-id-2-yl]methylidene]pyrrol-2-yl]methylidene]-3-methylpyrrol-2-yl]methylidene]-2-oxo-3,4-dihydropyrano[2,3-c]pyrrol-5-olate; iron(3+) Traditional Name: ferric; (2S)-2-acetyl-4-keto-pentane-1-thiolate; (7Z)-2-keto-7-[[(5Z)-5-[[(5Z)-5-[[4-(3-ketobutyl)-3-methyl-pyrrol-1-id-2-yl]methylene]-3-methyl-4-vinyl-pyrrol-2-yl]methylene]-3-methyl-4-vinyl-pyrrol-2-yl]methylene]-3,4-dihydropyrano[2,3-c]pyrrol-5-olate Formula: C40H41FeN4O6S MolecularWeight: 761.68674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N-]C=C1CCC(=O)C)C=C2C(=C(C(=N2)C=C3C(=C(C(=N3)C=C4C5=C(CCC(=O)O5)C(=N4)[O-])C)C=C)C)C=C.CC(=O)CC(C[S-])C(=O)C.[Fe+3]

Isomeric SMILES

CC1=C([N-]C=C1CCC(=O)C)/C=C\2/C(=C(C(=N2)/C=C\3/C(=C(C(=N3)/C=C\4/C5=C(CCC(=O)O5)C(=N4)[O-])C)C=C)C)C=C.CC(=O)C[C@H](C[S-])C(=O)C.[Fe+3]

InChI

InChI=1S/C33H31N4O4.C7H12O2S.Fe/c1-7-22-19(5)26(35-28(22)13-25-18(4)21(16-34-25)10-9-17(3)38)14-29-23(8-2)20(6)27(36-29)15-30-32-24(33(40)37-30)11-12-31(39)41-32;1-5(8)3-7(4-10)6(2)9;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H-,34,35,36,37,40);7,10H,3-4H2,1-2H3;/q-1;;+3/p-2/t;7-;/m.1./s1