1,2,3,6,7,8-hexaethoxyphenanthrene-9-carbonitrile

Systemtic Name: 1,2,3,6,7,8-hexaethoxyphenanthrene-9-carbonitrile Openeye Name: 1,2,3,6,7,8-hexaethoxyphenanthrene-9-carbonitrile CAS Name: 1,2,3,6,7,8-hexaethoxy-9-phenanthrenecarbonitrile IUPAC Name: 1,2,3,6,7,8-hexaethoxyphenanthrene-9-carbonitrile Traditional Name: 1,2,3,6,7,8-hexaethoxyphenanthrene-9-carbonitrile Formula: C27H33NO6 MolecularWeight: 467.55402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C=C(C3=C(C(=C(C=C3C2=C1)OCC)OCC)OCC)C#N)OCC)OCC

Isomeric SMILES

CCOC1=C(C(=C2C=C(C3=C(C(=C(C=C3C2=C1)OCC)OCC)OCC)C#N)OCC)OCC

InChI

InChI=1S/C27H33NO6/c1-7-29-21-14-18-19-15-22(30-8-2)26(33-11-5)27(34-12-6)23(19)17(16-28)13-20(18)24(31-9-3)25(21)32-10-4/h13-15H,7-12H2,1-6H3