1-[1,4,12-tri(hexanoyl)-1,4,8,12-tetrazacyclopentadec-8-yl]hexan-1-one

Systemtic Name: 1-[1,4,12-tri(hexanoyl)-1,4,8,12-tetrazacyclopentadec-8-yl]hexan-1-one Openeye Name: 1-[1,4,12-tri(hexanoyl)-1,4,8,12-tetrazacyclopentadec-8-yl]hexan-1-one CAS Name: 1-[1,4,12-tris(1-oxohexyl)-1,4,8,12-tetrazacyclopentadec-8-yl]-1-hexanone IUPAC Name: 1-[1,4,12-tri(hexanoyl)-1,4,8,12-tetrazacyclopentadec-8-yl]hexan-1-one Traditional Name: 1-(1,4,12-tricaproyl-1,4,8,12-tetrazacyclopentadec-8-yl)hexan-1-one Formula: C35H66N4O4 MolecularWeight: 606.92294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCCN(CCCN(CCN(CCC1)C(=O)CCCCC)C(=O)CCCCC)C(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)N1CCCN(CCCN(CCN(CCC1)C(=O)CCCCC)C(=O)CCCCC)C(=O)CCCCC

InChI

InChI=1S/C35H66N4O4/c1-5-9-13-20-32(40)36-24-17-25-37(33(41)21-14-10-6-2)27-19-29-39(35(43)23-16-12-8-4)31-30-38(28-18-26-36)34(42)22-15-11-7-3/h5-31H2,1-4H3