3-[4-[3-(4-butylsulfonyloxy-2-methoxy-phenyl)propyl]-3-(2-ethoxyethoxy)phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(4-butylsulfonyloxy-2-methoxy-phenyl)propyl]-3-(2-ethoxyethoxy)phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-butylsulfonyloxy-2-methoxy-phenyl)propyl]-3-(2-ethoxyethoxy)phenyl]propanoic acid CAS Name: 3-[4-[3-(4-butylsulfonyloxy-2-methoxyphenyl)propyl]-3-(2-ethoxyethoxy)phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-butylsulfonyloxy-2-methoxyphenyl)propyl]-3-(2-ethoxyethoxy)phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-butylsulfonyloxy-2-methoxy-phenyl)propyl]-3-(2-ethoxyethoxy)phenyl]propionic acid Formula: C27H38O8S MolecularWeight: 522.65082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC(=C(C=C1)CCCC2=C(C=C(C=C2)CCC(=O)O)OCCOCC)OC

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC(=C(C=C1)CCCC2=C(C=C(C=C2)CCC(=O)O)OCCOCC)OC

InChI

InChI=1S/C27H38O8S/c1-4-6-18-36(30,31)35-24-14-13-22(25(20-24)32-3)8-7-9-23-12-10-21(11-15-27(28)29)19-26(23)34-17-16-33-5-2/h10,12-14,19-20H,4-9,11,15-18H2,1-3H3,(H,28,29)