ethyl 10-(7-ethoxy-7-oxidanylidene-hept-5-ynyl)phenanthrene-9-carboxylate

Systemtic Name: ethyl 10-(7-ethoxy-7-oxidanylidene-hept-5-ynyl)phenanthrene-9-carboxylate Openeye Name: ethyl 10-(7-ethoxy-7-oxo-hept-5-ynyl)phenanthrene-9-carboxylate CAS Name: 10-(7-ethoxy-7-oxohept-5-ynyl)-9-phenanthrenecarboxylic acid ethyl ester IUPAC Name: ethyl 10-(7-ethoxy-7-oxohept-5-ynyl)phenanthrene-9-carboxylate Traditional Name: 10-(7-ethoxy-7-keto-hept-5-ynyl)phenanthrene-9-carboxylic acid ethyl ester Formula: C26H26O4 MolecularWeight: 402.48224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CCCCCC1=C(C2=CC=CC=C2C3=CC=CC=C31)C(=O)OCC

Isomeric SMILES

CCOC(=O)C#CCCCCC1=C(C2=CC=CC=C2C3=CC=CC=C31)C(=O)OCC

InChI

InChI=1S/C26H26O4/c1-3-29-24(27)18-8-6-5-7-16-22-20-14-10-9-13-19(20)21-15-11-12-17-23(21)25(22)26(28)30-4-2/h9-15,17H,3-7,16H2,1-2H3