6,7-diheptoxy-3,4-bis(2-methylbutoxy)-2-pent-4-enoxy-phenanthrene-9-carbonitrile

Systemtic Name: 6,7-diheptoxy-3,4-bis(2-methylbutoxy)-2-pent-4-enoxy-phenanthrene-9-carbonitrile Openeye Name: 6,7-diheptoxy-3,4-bis(2-methylbutoxy)-2-pent-4-enoxy-phenanthrene-9-carbonitrile CAS Name: 6,7-diheptoxy-3,4-bis(2-methylbutoxy)-2-pent-4-enoxy-9-phenanthrenecarbonitrile IUPAC Name: 6,7-diheptoxy-3,4-bis(2-methylbutoxy)-2-pent-4-enoxyphenanthrene-9-carbonitrile Traditional Name: 6,7-diheptoxy-3,4-bis(2-methylbutoxy)-2-pent-4-enoxy-phenanthrene-9-carbonitrile Formula: C44H65NO5 MolecularWeight: 687.9906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C2C(=C1)C(=CC3=CC(=C(C(=C32)OCC(C)CC)OCC(C)CC)OCCCC=C)C#N)OCCCCCCC

Isomeric SMILES

CCCCCCCOC1=C(C=C2C(=C1)C(=CC3=CC(=C(C(=C32)OCC(C)CC)OCC(C)CC)OCCCC=C)C#N)OCCCCCCC

InChI

InChI=1S/C44H65NO5/c1-8-13-16-18-21-24-46-39-28-37-36(30-45)26-35-27-41(48-23-20-15-10-3)43(49-31-33(6)11-4)44(50-32-34(7)12-5)42(35)38(37)29-40(39)47-25-22-19-17-14-9-2/h10,26-29,33-34H,3,8-9,11-25,31-32H2,1-2,4-7H3