(E)-3-[5-(4-butylphenyl)thiophen-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-(4-butylphenyl)thiophen-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(4-butylphenyl)-2-thienyl]prop-2-enoic acid CAS Name: (E)-3-[5-(4-butylphenyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(4-butylphenyl)thiophen-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(4-butylphenyl)-2-thienyl]acrylic acid Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=C(S2)C=CC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=C(S2)/C=C/C(=O)O

InChI

InChI=1S/C17H18O2S/c1-2-3-4-13-5-7-14(8-6-13)16-11-9-15(20-16)10-12-17(18)19/h5-12H,2-4H2,1H3,(H,18,19)/b12-10+