5,6-bis(dodecoxycarbonyl)pyrazine-2,3-dicarboxylic acid; iron(2+)

Systemtic Name: 5,6-bis(dodecoxycarbonyl)pyrazine-2,3-dicarboxylic acid; iron(2+) Openeye Name: ferrous 5,6-bis(dodecoxycarbonyl)pyrazine-2,3-dicarboxylic acid CAS Name: 5,6-bis[dodecoxy(oxo)methyl]pyrazine-2,3-dicarboxylic acid; iron(2+) IUPAC Name: 5,6-bis(dodecoxycarbonyl)pyrazine-2,3-dicarboxylic acid; iron(2+) Traditional Name: ferrous 5,6-bis(lauryloxycarbonyl)pyrazine-2,3-dicarboxylic acid Formula: C32H52FeN2O8+2 MolecularWeight: 648.60888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=NC(=C(N=C1C(=O)OCCCCCCCCCCCC)C(=O)O)C(=O)O.[Fe+2]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=NC(=C(N=C1C(=O)OCCCCCCCCCCCC)C(=O)O)C(=O)O.[Fe+2]

InChI

InChI=1S/C32H52N2O8.Fe/c1-3-5-7-9-11-13-15-17-19-21-23-41-31(39)27-28(34-26(30(37)38)25(33-27)29(35)36)32(40)42-24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3,(H,35,36)(H,37,38);/q;+2