2,3-dimethyl-1,6,7-tris(undec-10-enoxy)phenanthrene-9-carbonitrile

Systemtic Name: 2,3-dimethyl-1,6,7-tris(undec-10-enoxy)phenanthrene-9-carbonitrile Openeye Name: 2,3-dimethyl-1,6,7-tris(undec-10-enoxy)phenanthrene-9-carbonitrile CAS Name: 2,3-dimethyl-1,6,7-tris(undec-10-enoxy)-9-phenanthrenecarbonitrile IUPAC Name: 2,3-dimethyl-1,6,7-tris(undec-10-enoxy)phenanthrene-9-carbonitrile Traditional Name: 2,3-dimethyl-1,6,7-tris(undec-10-enoxy)phenanthrene-9-carbonitrile Formula: C50H73NO3 MolecularWeight: 736.11952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C3=CC(=C(C=C3C2=C1)OCCCCCCCCCC=C)OCCCCCCCCCC=C)C#N)OCCCCCCCCCC=C)C

Isomeric SMILES

CC1=C(C(=C2C=C(C3=CC(=C(C=C3C2=C1)OCCCCCCCCCC=C)OCCCCCCCCCC=C)C#N)OCCCCCCCCCC=C)C

InChI

InChI=1S/C50H73NO3/c1-6-9-12-15-18-21-24-27-30-33-52-48-38-44-43(40-51)37-47-45(46(44)39-49(48)53-34-31-28-25-22-19-16-13-10-7-2)36-41(4)42(5)50(47)54-35-32-29-26-23-20-17-14-11-8-3/h6-8,36-39H,1-3,9-35H2,4-5H3