2-[(E)-2-[4-(5-ethoxy-1-benzothiophen-2-yl)-2-pentyl-phenyl]ethenyl]-5-iodanyl-benzoic acid

Systemtic Name: 2-[(E)-2-[4-(5-ethoxy-1-benzothiophen-2-yl)-2-pentyl-phenyl]ethenyl]-5-iodanyl-benzoic acid Openeye Name: 2-[(E)-2-[4-(5-ethoxybenzothiophen-2-yl)-2-pentyl-phenyl]vinyl]-5-iodo-benzoic acid CAS Name: 2-[(E)-2-[4-(5-ethoxy-1-benzothiophen-2-yl)-2-pentylphenyl]ethenyl]-5-iodobenzoic acid IUPAC Name: 2-[(E)-2-[4-(5-ethoxy-1-benzothiophen-2-yl)-2-pentylphenyl]ethenyl]-5-iodobenzoic acid Traditional Name: 2-[(E)-2-[2-amyl-4-(5-ethoxybenzothiophen-2-yl)phenyl]vinyl]-5-iodo-benzoic acid Formula: C30H29IO3S MolecularWeight: 596.51893

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1)C2=CC3=C(S2)C=CC(=C3)OCC)C=CC4=C(C=C(C=C4)I)C(=O)O

Isomeric SMILES

CCCCCC1=C(C=CC(=C1)C2=CC3=C(S2)C=CC(=C3)OCC)/C=C/C4=C(C=C(C=C4)I)C(=O)O

InChI

InChI=1S/C30H29IO3S/c1-3-5-6-7-22-16-23(29-18-24-17-26(34-4-2)14-15-28(24)35-29)11-9-20(22)8-10-21-12-13-25(31)19-27(21)30(32)33/h8-19H,3-7H2,1-2H3,(H,32,33)/b10-8+