ethyl 10-[2-(3,3-dimethylbut-1-ynyl)phenyl]carbonylphenanthrene-9-carboxylate

Systemtic Name: ethyl 10-[2-(3,3-dimethylbut-1-ynyl)phenyl]carbonylphenanthrene-9-carboxylate Openeye Name: ethyl 10-[2-(3,3-dimethylbut-1-ynyl)benzoyl]phenanthrene-9-carboxylate CAS Name: 10-[[2-(3,3-dimethylbut-1-ynyl)phenyl]-oxomethyl]-9-phenanthrenecarboxylic acid ethyl ester IUPAC Name: ethyl 10-[2-(3,3-dimethylbut-1-ynyl)benzoyl]phenanthrene-9-carboxylate Traditional Name: 10-[2-(3,3-dimethylbut-1-ynyl)benzoyl]phenanthrene-9-carboxylic acid ethyl ester Formula: C30H26O3 MolecularWeight: 434.52564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2C3=CC=CC=C31)C(=O)C4=CC=CC=C4C#CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2C3=CC=CC=C31)C(=O)C4=CC=CC=C4C#CC(C)(C)C

InChI

InChI=1S/C30H26O3/c1-5-33-29(32)27-25-17-11-9-15-23(25)22-14-8-10-16-24(22)26(27)28(31)21-13-7-6-12-20(21)18-19-30(2,3)4/h6-17H,5H2,1-4H3