2-phenyl-3-[(1E,6Z,9E)-7,13,13-trimethyltetradeca-1,6,9-trien-11-ynyl]thiophene

Systemtic Name: 2-phenyl-3-[(1E,6Z,9E)-7,13,13-trimethyltetradeca-1,6,9-trien-11-ynyl]thiophene Openeye Name: 2-phenyl-3-[(1E,6Z,9E)-7,13,13-trimethyltetradeca-1,6,9-trien-11-ynyl]thiophene CAS Name: 2-phenyl-3-[(1E,6Z,9E)-7,13,13-trimethyltetradeca-1,6,9-trien-11-ynyl]thiophene IUPAC Name: 2-phenyl-3-[(1E,6Z,9E)-7,13,13-trimethyltetradeca-1,6,9-trien-11-ynyl]thiophene Traditional Name: 2-phenyl-3-[(1E,6Z,9E)-7,13,13-trimethyltetradeca-1,6,9-trien-11-ynyl]thiophene Formula: C27H32S MolecularWeight: 388.60798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCCC=CC1=C(SC=C1)C2=CC=CC=C2)CC=CC#CC(C)(C)C

Isomeric SMILES

C/C(=C/CCC/C=C/C1=C(SC=C1)C2=CC=CC=C2)/C/C=C/C#CC(C)(C)C

InChI

InChI=1S/C27H32S/c1-23(16-10-8-14-21-27(2,3)4)15-9-5-6-11-19-25-20-22-28-26(25)24-17-12-7-13-18-24/h7-8,10-13,15,17-20,22H,5-6,9,16H2,1-4H3/b10-8+,19-11+,23-15-