5,6-bis(5-methoxypent-1-ynyl)pyrazine-2,3-dicarboxylic acid

Systemtic Name: 5,6-bis(5-methoxypent-1-ynyl)pyrazine-2,3-dicarboxylic acid Openeye Name: 5,6-bis(5-methoxypent-1-ynyl)pyrazine-2,3-dicarboxylic acid CAS Name: 5,6-bis(5-methoxypent-1-ynyl)pyrazine-2,3-dicarboxylic acid IUPAC Name: 5,6-bis(5-methoxypent-1-ynyl)pyrazine-2,3-dicarboxylic acid Traditional Name: 5,6-bis(5-methoxypent-1-ynyl)pyrazine-2,3-dicarboxylic acid Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

COCCCC#CC1=C(N=C(C(=N1)C(=O)O)C(=O)O)C#CCCCOC

Isomeric SMILES

COCCCC#CC1=C(N=C(C(=N1)C(=O)O)C(=O)O)C#CCCCOC

InChI

InChI=1S/C18H20N2O6/c1-25-11-7-3-5-9-13-14(10-6-4-8-12-26-2)20-16(18(23)24)15(19-13)17(21)22/h3-4,7-8,11-12H2,1-2H3,(H,21,22)(H,23,24)