6-[(E)-4-(3,5-dimethylphenyl)but-1-en-3-ynyl]-2,4-dimethyl-phenanthrene

Systemtic Name: 6-[(E)-4-(3,5-dimethylphenyl)but-1-en-3-ynyl]-2,4-dimethyl-phenanthrene Openeye Name: 6-[(E)-4-(3,5-dimethylphenyl)but-1-en-3-ynyl]-2,4-dimethyl-phenanthrene CAS Name: 6-[(E)-4-(3,5-dimethylphenyl)but-1-en-3-ynyl]-2,4-dimethylphenanthrene IUPAC Name: 6-[(E)-4-(3,5-dimethylphenyl)but-1-en-3-ynyl]-2,4-dimethylphenanthrene Traditional Name: 6-[(E)-4-(3,5-dimethylphenyl)but-1-en-3-ynyl]-2,4-dimethyl-phenanthrene Formula: C28H24 MolecularWeight: 360.49016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C#CC=CC2=CC3=C(C=C2)C=CC4=CC(=CC(=C43)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C#C/C=C/C2=CC3=C(C=C2)C=CC4=CC(=CC(=C43)C)C)C

InChI

InChI=1S/C28H24/c1-19-13-20(2)16-24(15-19)8-6-5-7-23-9-10-25-11-12-26-17-21(3)14-22(4)28(26)27(25)18-23/h5,7,9-18H,1-4H3/b7-5+