1-[3,5-bis[3-(3,5-ditert-butylcyclohexa-1,5-dien-1-yl)propanoyl]-1,3,5-triazinan-1-yl]-3-(3,5-ditert-butylcyclohexa-1,5-dien-1-yl)propan-1-one

Systemtic Name: 1-[3,5-bis[3-(3,5-ditert-butylcyclohexa-1,5-dien-1-yl)propanoyl]-1,3,5-triazinan-1-yl]-3-(3,5-ditert-butylcyclohexa-1,5-dien-1-yl)propan-1-one Openeye Name: 1-[3,5-bis[3-(3,5-ditert-butylcyclohexa-1,5-dien-1-yl)propanoyl]-1,3,5-triazinan-1-yl]-3-(3,5-ditert-butylcyclohexa-1,5-dien-1-yl)propan-1-one CAS Name: 1-[3,5-bis[3-(3,5-ditert-butyl-1-cyclohexa-1,5-dienyl)-1-oxopropyl]-1,3,5-triazinan-1-yl]-3-(3,5-ditert-butyl-1-cyclohexa-1,5-dienyl)-1-propanone IUPAC Name: 1-[3,5-bis[3-(3,5-ditert-butylcyclohexa-1,5-dien-1-yl)propanoyl]-1,3,5-triazinan-1-yl]-3-(3,5-ditert-butylcyclohexa-1,5-dien-1-yl)propan-1-one Traditional Name: 1-[3,5-bis[3-(3,5-ditert-butylcyclohexa-1,5-dien-1-yl)propanoyl]-1,3,5-triazinan-1-yl]-3-(3,5-ditert-butylcyclohexa-1,5-dien-1-yl)propan-1-one Formula: C54H87N3O3 MolecularWeight: 826.28688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(=CC(=C1)CCC(=O)N2CN(CN(C2)C(=O)CCC3=CC(CC(=C3)C(C)(C)C)C(C)(C)C)C(=O)CCC4=CC(CC(=C4)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1CC(=CC(=C1)CCC(=O)N2CN(CN(C2)C(=O)CCC3=CC(CC(=C3)C(C)(C)C)C(C)(C)C)C(=O)CCC4=CC(CC(=C4)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C54H87N3O3/c1-49(2,3)40-25-37(26-41(31-40)50(4,5)6)19-22-46(58)55-34-56(47(59)23-20-38-27-42(51(7,8)9)32-43(28-38)52(10,11)12)36-57(35-55)48(60)24-21-39-29-44(53(13,14)15)33-45(30-39)54(16,17)18/h25-30,40,42,44H,19-24,31-36H2,1-18H3