(E)-3-[5-(7-phenylheptyl)thiophen-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-(7-phenylheptyl)thiophen-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(7-phenylheptyl)-2-thienyl]prop-2-enoic acid CAS Name: (E)-3-[5-(7-phenylheptyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(7-phenylheptyl)thiophen-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(7-phenylheptyl)-2-thienyl]acrylic acid Formula: C20H24O2S MolecularWeight: 328.46836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCC2=CC=C(S2)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCC2=CC=C(S2)/C=C/C(=O)O

InChI

InChI=1S/C20H24O2S/c21-20(22)16-15-19-14-13-18(23-19)12-8-3-1-2-5-9-17-10-6-4-7-11-17/h4,6-7,10-11,13-16H,1-3,5,8-9,12H2,(H,21,22)/b16-15+