[4-[4-(5-heptylthiophen-2-yl)phenyl]phenyl] (E)-but-2-enoate

Systemtic Name: [4-[4-(5-heptylthiophen-2-yl)phenyl]phenyl] (E)-but-2-enoate Openeye Name: [4-[4-(5-heptyl-2-thienyl)phenyl]phenyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [4-[4-(5-heptyl-2-thiophenyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-heptylthiophen-2-yl)phenyl]phenyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [4-[4-(5-heptyl-2-thienyl)phenyl]phenyl] ester Formula: C27H30O2S MolecularWeight: 418.5909

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C=CC

Isomeric SMILES

CCCCCCCC1=CC=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)/C=C/C

InChI

InChI=1S/C27H30O2S/c1-3-5-6-7-8-10-25-19-20-26(30-25)23-13-11-21(12-14-23)22-15-17-24(18-16-22)29-27(28)9-4-2/h4,9,11-20H,3,5-8,10H2,1-2H3/b9-4+