1-[4-(5-decylthiophen-2-yl)phenyl]heptan-1-one

Systemtic Name: 1-[4-(5-decylthiophen-2-yl)phenyl]heptan-1-one Openeye Name: 1-[4-(5-decyl-2-thienyl)phenyl]heptan-1-one CAS Name: 1-[4-(5-decyl-2-thiophenyl)phenyl]-1-heptanone IUPAC Name: 1-[4-(5-decylthiophen-2-yl)phenyl]heptan-1-one Traditional Name: 1-[4-(5-decyl-2-thienyl)phenyl]heptan-1-one Formula: C27H40OS MolecularWeight: 412.6709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(S1)C2=CC=C(C=C2)C(=O)CCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CC=C(S1)C2=CC=C(C=C2)C(=O)CCCCCC

InChI

InChI=1S/C27H40OS/c1-3-5-7-9-10-11-12-13-15-25-21-22-27(29-25)24-19-17-23(18-20-24)26(28)16-14-8-6-4-2/h17-22H,3-16H2,1-2H3