7-azanylidene-3-decyl-8-ethyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile

Systemtic Name: 7-azanylidene-3-decyl-8-ethyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 3-decyl-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 3-decyl-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 3-decyl-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 3-decyl-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1C(C2(C(C(O1)(OC2=N)C3=CC=CC=C3)CC)C#N)(C#N)C#N

Isomeric SMILES

CCCCCCCCCCC1C(C2(C(C(O1)(OC2=N)C3=CC=CC=C3)CC)C#N)(C#N)C#N

InChI

InChI=1S/C27H34N4O2/c1-3-5-6-7-8-9-10-14-17-23-25(18-28,19-29)26(20-30)22(4-2)27(32-23,33-24(26)31)21-15-12-11-13-16-21/h11-13,15-16,22-23,31H,3-10,14,17H2,1-2H3