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

Systemtic Name: 1,13-dimethyl-8-(6-oxidanylpentadecyl)-1,5,9,13-tetrazacycloheptadecan-6-one Openeye Name: 8-(6-hydroxypentadecyl)-1,13-dimethyl-1,5,9,13-tetrazacycloheptadecan-6-one CAS Name: 8-(6-hydroxypentadecyl)-1,13-dimethyl-1,5,9,13-tetrazacycloheptadecan-6-one IUPAC Name: 8-(6-hydroxypentadecyl)-1,13-dimethyl-1,5,9,13-tetrazacycloheptadecan-6-one Traditional Name: 8-(6-hydroxypentadecyl)-1,13-dimethyl-1,5,9,13-tetrazacycloheptadecan-6-one Formula: C30H62N4O2 MolecularWeight: 510.83888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCC1CC(=O)NCCCN(CCCCN(CCCN1)C)C)O

Isomeric SMILES

CCCCCCCCCC(CCCCCC1CC(=O)NCCCN(CCCCN(CCCN1)C)C)O

InChI

InChI=1S/C30H62N4O2/c1-4-5-6-7-8-9-12-19-29(35)20-13-10-11-18-28-27-30(36)32-22-17-26-34(3)24-15-14-23-33(2)25-16-21-31-28/h28-29,31,35H,4-27H2,1-3H3,(H,32,36)