(E)-3-[5-[2-(4-methylphenyl)sulfonyloxypropyl]thiophen-2-yl]but-2-enoic acid

Systemtic Name: (E)-3-[5-[2-(4-methylphenyl)sulfonyloxypropyl]thiophen-2-yl]but-2-enoic acid Openeye Name: (E)-3-[5-[2-(p-tolylsulfonyloxy)propyl]-2-thienyl]but-2-enoic acid CAS Name: (E)-3-[5-[2-(4-methylphenyl)sulfonyloxypropyl]-2-thiophenyl]-2-butenoic acid IUPAC Name: (E)-3-[5-[2-(4-methylphenyl)sulfonyloxypropyl]thiophen-2-yl]but-2-enoic acid Traditional Name: (E)-3-[5-(2-tosyloxypropyl)-2-thienyl]but-2-enoic acid Formula: C18H20O5S2 MolecularWeight: 380.4784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC2=CC=C(S2)C(=CC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC2=CC=C(S2)/C(=C/C(=O)O)/C

InChI

InChI=1S/C18H20O5S2/c1-12-4-7-16(8-5-12)25(21,22)23-14(3)11-15-6-9-17(24-15)13(2)10-18(19)20/h4-10,14H,11H2,1-3H3,(H,19,20)/b13-10+