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1,2,3,6,7-pentaheptoxyphenanthrene-9-carbonitrile

1,2,3,6,7-pentaheptoxyphenanthrene-9-carbonitrile

Systemtic Name:1,2,3,6,7-pentaheptoxyphenanthrene-9-carbonitrile
Openeye Name:1,2,3,6,7-pentaheptoxyphenanthrene-9-carbonitrile
CAS Name:1,2,3,6,7-pentaheptoxy-9-phenanthrenecarbonitrile
IUPAC Name:1,2,3,6,7-pentaheptoxyphenanthrene-9-carbonitrile
Traditional Name:1,2,3,6,7-pentaheptoxyphenanthrene-9-carbonitrile
Formula: C50H79NO5
MolecularWeight: 774.16596
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C2C(=C1)C(=CC3=C(C(=C(C=C23)OCCCCCCC)OCCCCCCC)OCCCCCCC)C#N)OCCCCCCC


Isomeric SMILES

CCCCCCCOC1=C(C=C2C(=C1)C(=CC3=C(C(=C(C=C23)OCCCCCCC)OCCCCCCC)OCCCCCCC)C#N)OCCCCCCC


InChI

InChI=1S/C50H79NO5/c1-6-11-16-21-26-31-52-46-37-42-41(40-51)36-45-44(43(42)38-47(46)53-32-27-22-17-12-7-2)39-48(54-33-28-23-18-13-8-3)50(56-35-30-25-20-15-10-5)49(45)55-34-29-24-19-14-9-4/h36-39H,6-35H2,1-5H3


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