1,9-dicyano-17-ethanoyl-cyclotetracosane-1,9,17-tricarboxylic acid

Systemtic Name: 1,9-dicyano-17-ethanoyl-cyclotetracosane-1,9,17-tricarboxylic acid Openeye Name: 1-acetyl-9,17-dicyano-cyclotetracosane-1,9,17-tricarboxylic acid CAS Name: 1-acetyl-9,17-dicyanocyclotetracosane-1,9,17-tricarboxylic acid IUPAC Name: 1-acetyl-9,17-dicyanocyclotetracosane-1,9,17-tricarboxylic acid Traditional Name: 1-acetyl-9,17-dicyano-cyclotetracosane-1,9,17-tricarboxylic acid Formula: C31H48N2O7 MolecularWeight: 560.72202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCCCCCCC(CCCCCCCC(CCCCCCC1)(C#N)C(=O)O)(C#N)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C1(CCCCCCCC(CCCCCCCC(CCCCCCC1)(C#N)C(=O)O)(C#N)C(=O)O)C(=O)O

InChI

InChI=1S/C31H48N2O7/c1-25(34)31(28(39)40)21-15-9-3-7-13-19-29(23-32,26(35)36)17-11-5-2-6-12-18-30(24-33,27(37)38)20-14-8-4-10-16-22-31/h2-22H2,1H3,(H,35,36)(H,37,38)(H,39,40)