1,10-bis(phenylmethyl)-1,10,19,28-tetrazacyclohexatriacontane

Systemtic Name: 1,10-bis(phenylmethyl)-1,10,19,28-tetrazacyclohexatriacontane Openeye Name: 1,10-dibenzyl-1,10,19,28-tetrazacyclohexatriacontane CAS Name: 1,10-bis(phenylmethyl)-1,10,19,28-tetrazacyclohexatriacontane IUPAC Name: 1,10-dibenzyl-1,10,19,28-tetrazacyclohexatriacontane Traditional Name: 1,10-dibenzyl-1,10,19,28-tetrazacyclohexatriacontane Formula: C46H80N4 MolecularWeight: 689.1542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCNCCCCCCCCN(CCCCCCCCN(CCCCCCCCNCCC1)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CCCCNCCCCCCCCN(CCCCCCCCN(CCCCCCCCNCCC1)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C46H80N4/c1-2-10-24-36-48-38-26-12-4-6-14-28-40-50(44-46-33-21-18-22-34-46)42-30-16-8-7-15-29-41-49(43-45-31-19-17-20-32-45)39-27-13-5-3-11-25-37-47-35-23-9-1/h17-22,31-34,47-48H,1-16,23-30,35-44H2