1,2-bis[5-[(E)-hept-5-en-1,3-diynyl]thiophen-2-yl]-2-oxidanyl-pentane-1,4-dione

Systemtic Name: 1,2-bis[5-[(E)-hept-5-en-1,3-diynyl]thiophen-2-yl]-2-oxidanyl-pentane-1,4-dione Openeye Name: 1,2-bis[5-[(E)-hept-5-en-1,3-diynyl]-2-thienyl]-2-hydroxy-pentane-1,4-dione CAS Name: 1,2-bis[5-[(E)-hept-5-en-1,3-diynyl]-2-thiophenyl]-2-hydroxypentane-1,4-dione IUPAC Name: 1,2-bis[5-[(E)-hept-5-en-1,3-diynyl]thiophen-2-yl]-2-hydroxypentane-1,4-dione Traditional Name: 1,2-bis[5-[(E)-hept-5-en-1,3-diynyl]-2-thienyl]-2-hydroxy-pentane-1,4-dione Formula: C27H20O3S2 MolecularWeight: 456.5759

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC#CC#CC1=CC=C(S1)C(=O)C(CC(=O)C)(C2=CC=C(S2)C#CC#CC=CC)O

Isomeric SMILES

C/C=C/C#CC#CC1=CC=C(S1)C(=O)C(CC(=O)C)(C2=CC=C(S2)C#CC#C/C=C/C)O

InChI

InChI=1S/C27H20O3S2/c1-4-6-8-10-12-14-22-16-18-24(31-22)26(29)27(30,20-21(3)28)25-19-17-23(32-25)15-13-11-9-7-5-2/h4-7,16-19,30H,20H2,1-3H3/b6-4+,7-5+