1,13-dimethyl-8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one

Systemtic Name: 1,13-dimethyl-8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one Openeye Name: 1,13-dimethyl-8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one CAS Name: 1,13-dimethyl-8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one IUPAC Name: 1,13-dimethyl-8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one Traditional Name: 1,13-dimethyl-8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one Formula: C28H58N4O MolecularWeight: 466.78632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1CC(=O)NCCCN(CCCCN(CCCN1)C)C

Isomeric SMILES

CCCCCCCCCCCCCC1CC(=O)NCCCN(CCCCN(CCCN1)C)C

InChI

InChI=1S/C28H58N4O/c1-4-5-6-7-8-9-10-11-12-13-14-19-27-26-28(33)30-21-18-25-32(3)23-16-15-22-31(2)24-17-20-29-27/h27,29H,4-26H2,1-3H3,(H,30,33)