[4-[5-(4-hexylphenyl)thiophen-2-yl]phenyl] 4-methylpentanoate

Systemtic Name: [4-[5-(4-hexylphenyl)thiophen-2-yl]phenyl] 4-methylpentanoate Openeye Name: [4-[5-(4-hexylphenyl)-2-thienyl]phenyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [4-[5-(4-hexylphenyl)-2-thiophenyl]phenyl] ester IUPAC Name: [4-[5-(4-hexylphenyl)thiophen-2-yl]phenyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [4-[5-(4-hexylphenyl)-2-thienyl]phenyl] ester Formula: C28H34O2S MolecularWeight: 434.63336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(S2)C3=CC=C(C=C3)OC(=O)CCC(C)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(S2)C3=CC=C(C=C3)OC(=O)CCC(C)C

InChI

InChI=1S/C28H34O2S/c1-4-5-6-7-8-22-10-12-23(13-11-22)26-18-19-27(31-26)24-14-16-25(17-15-24)30-28(29)20-9-21(2)3/h10-19,21H,4-9,20H2,1-3H3