2,3-bis(hexa-1,3,5-triynoxy)-6,7-dihexoxy-1-prop-2-enoxy-phenanthrene-9-carbonitrile

Systemtic Name: 2,3-bis(hexa-1,3,5-triynoxy)-6,7-dihexoxy-1-prop-2-enoxy-phenanthrene-9-carbonitrile Openeye Name: 1-allyloxy-2,3-bis(hexa-1,3,5-triynoxy)-6,7-dihexoxy-phenanthrene-9-carbonitrile CAS Name: 2,3-bis(hexa-1,3,5-triynoxy)-6,7-dihexoxy-1-prop-2-enoxy-9-phenanthrenecarbonitrile IUPAC Name: 2,3-bis(hexa-1,3,5-triynoxy)-6,7-dihexoxy-1-prop-2-enoxyphenanthrene-9-carbonitrile Traditional Name: 1-allyloxy-2,3-bis(hexa-1,3,5-triynoxy)-6,7-dihexoxy-phenanthrene-9-carbonitrile Formula: C42H37NO5 MolecularWeight: 635.74688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C2C(=C1)C(=CC3=C(C(=C(C=C23)OC#CC#CC#C)OC#CC#CC#C)OCC=C)C#N)OCCCCCC

Isomeric SMILES

CCCCCCOC1=C(C=C2C(=C1)C(=CC3=C(C(=C(C=C23)OC#CC#CC#C)OC#CC#CC#C)OCC=C)C#N)OCCCCCC

InChI

InChI=1S/C42H37NO5/c1-6-11-15-19-24-44-38-29-34-33(32-43)28-37-36(35(34)30-39(38)45-25-20-16-12-7-2)31-40(46-26-21-17-13-8-3)42(41(37)47-23-10-5)48-27-22-18-14-9-4/h3-4,10,28-31H,5-7,11-12,15-16,19-20,23-25H2,1-2H3