methyl 3-[4-(2,4,6-trimethylphenyl)but-1-en-3-ynyl]phenanthrene-9-carboxylate

Systemtic Name: methyl 3-[4-(2,4,6-trimethylphenyl)but-1-en-3-ynyl]phenanthrene-9-carboxylate Openeye Name: methyl 3-[4-(2,4,6-trimethylphenyl)but-1-en-3-ynyl]phenanthrene-9-carboxylate CAS Name: 3-[4-(2,4,6-trimethylphenyl)but-1-en-3-ynyl]-9-phenanthrenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2,4,6-trimethylphenyl)but-1-en-3-ynyl]phenanthrene-9-carboxylate Traditional Name: 3-(4-mesitylbut-1-en-3-ynyl)phenanthrene-9-carboxylic acid methyl ester Formula: C29H24O2 MolecularWeight: 404.49966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C#CC=CC2=CC3=C(C=C2)C=C(C4=CC=CC=C43)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C#CC=CC2=CC3=C(C=C2)C=C(C4=CC=CC=C43)C(=O)OC)C

InChI

InChI=1S/C29H24O2/c1-19-15-20(2)24(21(3)16-19)10-6-5-9-22-13-14-23-18-28(29(30)31-4)26-12-8-7-11-25(26)27(23)17-22/h5,7-9,11-18H,1-4H3