1,2,3-tributoxy-6,7-dipentoxy-phenanthrene-9-carbonitrile

Systemtic Name: 1,2,3-tributoxy-6,7-dipentoxy-phenanthrene-9-carbonitrile Openeye Name: 1,2,3-tributoxy-6,7-dipentoxy-phenanthrene-9-carbonitrile CAS Name: 1,2,3-tributoxy-6,7-dipentoxy-9-phenanthrenecarbonitrile IUPAC Name: 1,2,3-tributoxy-6,7-dipentoxyphenanthrene-9-carbonitrile Traditional Name: 6,7-diamoxy-1,2,3-tributoxy-phenanthrene-9-carbonitrile Formula: C37H53NO5 MolecularWeight: 591.82042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C2C(=C1)C(=CC3=C(C(=C(C=C23)OCCCC)OCCCC)OCCCC)C#N)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C=C2C(=C1)C(=CC3=C(C(=C(C=C23)OCCCC)OCCCC)OCCCC)C#N)OCCCCC

InChI

InChI=1S/C37H53NO5/c1-6-11-16-21-39-33-24-29-28(27-38)23-32-31(30(29)25-34(33)40-22-17-12-7-2)26-35(41-18-13-8-3)37(43-20-15-10-5)36(32)42-19-14-9-4/h23-26H,6-22H2,1-5H3