1,13-dimethyl-8-(9-oxidanyloctadecyl)-1,5,9,13-tetrazacycloheptadecan-6-one

Systemtic Name: 1,13-dimethyl-8-(9-oxidanyloctadecyl)-1,5,9,13-tetrazacycloheptadecan-6-one Openeye Name: 8-(9-hydroxyoctadecyl)-1,13-dimethyl-1,5,9,13-tetrazacycloheptadecan-6-one CAS Name: 8-(9-hydroxyoctadecyl)-1,13-dimethyl-1,5,9,13-tetrazacycloheptadecan-6-one IUPAC Name: 8-(9-hydroxyoctadecyl)-1,13-dimethyl-1,5,9,13-tetrazacycloheptadecan-6-one Traditional Name: 8-(9-hydroxyoctadecyl)-1,13-dimethyl-1,5,9,13-tetrazacycloheptadecan-6-one Formula: C33H68N4O2 MolecularWeight: 552.91862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCCC1CC(=O)NCCCN(CCCCN(CCCN1)C)C)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCCC1CC(=O)NCCCN(CCCCN(CCCN1)C)C)O

InChI

InChI=1S/C33H68N4O2/c1-4-5-6-7-8-12-15-22-32(38)23-16-13-10-9-11-14-21-31-30-33(39)35-25-20-29-37(3)27-18-17-26-36(2)28-19-24-34-31/h31-32,34,38H,4-30H2,1-3H3,(H,35,39)