7,16-dicyano-25-ethoxycarbonyl-1,4,10,13,19,22-hexaoxacycloheptacosane-7,16,25-tricarboxylic acid

Systemtic Name: 7,16-dicyano-25-ethoxycarbonyl-1,4,10,13,19,22-hexaoxacycloheptacosane-7,16,25-tricarboxylic acid Openeye Name: 7,16-dicyano-25-ethoxycarbonyl-1,4,10,13,19,22-hexaoxacycloheptacosane-7,16,25-tricarboxylic acid CAS Name: 7,16-dicyano-25-ethoxycarbonyl-1,4,10,13,19,22-hexaoxacycloheptacosane-7,16,25-tricarboxylic acid IUPAC Name: 7,16-dicyano-25-ethoxycarbonyl-1,4,10,13,19,22-hexaoxacycloheptacosane-7,16,25-tricarboxylic acid Traditional Name: 7-carbethoxy-16,25-dicyano-1,4,10,13,19,22-hexaoxacycloheptacosane-7,16,25-tricarboxylic acid Formula: C29H44N2O14 MolecularWeight: 644.66466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCOCCOCCC(CCOCCOCCC(CCOCCOCC1)(C#N)C(=O)O)(C#N)C(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C1(CCOCCOCCC(CCOCCOCCC(CCOCCOCC1)(C#N)C(=O)O)(C#N)C(=O)O)C(=O)O

InChI

InChI=1S/C29H44N2O14/c1-2-45-26(38)29(25(36)37)7-13-43-19-17-41-11-5-27(21-30,23(32)33)3-9-39-15-16-40-10-4-28(22-31,24(34)35)6-12-42-18-20-44-14-8-29/h2-20H2,1H3,(H,32,33)(H,34,35)(H,36,37)