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

Systemtic Name: 3-[3-butoxy-4-[3-(4-butylsulfonyloxy-3-methoxy-phenyl)propyl]phenyl]propanoic acid Openeye Name: 3-[3-butoxy-4-[3-(4-butylsulfonyloxy-3-methoxy-phenyl)propyl]phenyl]propanoic acid CAS Name: 3-[3-butoxy-4-[3-(4-butylsulfonyloxy-3-methoxyphenyl)propyl]phenyl]propanoic acid IUPAC Name: 3-[3-butoxy-4-[3-(4-butylsulfonyloxy-3-methoxyphenyl)propyl]phenyl]propanoic acid Traditional Name: 3-[3-butoxy-4-[3-(4-butylsulfonyloxy-3-methoxy-phenyl)propyl]phenyl]propionic acid Formula: C27H38O7S MolecularWeight: 506.65142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)CCC(=O)O)CCCC2=CC(=C(C=C2)OS(=O)(=O)CCCC)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)CCC(=O)O)CCCC2=CC(=C(C=C2)OS(=O)(=O)CCCC)OC

InChI

InChI=1S/C27H38O7S/c1-4-6-17-33-25-19-22(13-16-27(28)29)11-14-23(25)10-8-9-21-12-15-24(26(20-21)32-3)34-35(30,31)18-7-5-2/h11-12,14-15,19-20H,4-10,13,16-18H2,1-3H3,(H,28,29)