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6,7-diheptoxy-1,2,3-tris(oxidanyl)phenanthrene-9-carbonitrile

6,7-diheptoxy-1,2,3-tris(oxidanyl)phenanthrene-9-carbonitrile

Systemtic Name:6,7-diheptoxy-1,2,3-tris(oxidanyl)phenanthrene-9-carbonitrile
Openeye Name:6,7-diheptoxy-1,2,3-trihydroxy-phenanthrene-9-carbonitrile
CAS Name:6,7-diheptoxy-1,2,3-trihydroxy-9-phenanthrenecarbonitrile
IUPAC Name:6,7-diheptoxy-1,2,3-trihydroxyphenanthrene-9-carbonitrile
Traditional Name:6,7-diheptoxy-1,2,3-trihydroxy-phenanthrene-9-carbonitrile
Formula: C29H37NO5
MolecularWeight: 479.60778
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C2C3=CC(=C(C(=C3C=C(C2=C1)C#N)O)O)O)OCCCCCCC


Isomeric SMILES

CCCCCCCOC1=C(C=C2C3=CC(=C(C(=C3C=C(C2=C1)C#N)O)O)O)OCCCCCCC


InChI

InChI=1S/C29H37NO5/c1-3-5-7-9-11-13-34-26-17-21-20(19-30)15-24-22(16-25(31)29(33)28(24)32)23(21)18-27(26)35-14-12-10-8-6-4-2/h15-18,31-33H,3-14H2,1-2H3


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