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

Systemtic Name: 3-[2-butoxy-4-[3-(4-butylsulfonyloxy-3-methoxy-phenyl)propyl]phenyl]propanoic acid Openeye Name: 3-[2-butoxy-4-[3-(4-butylsulfonyloxy-3-methoxy-phenyl)propyl]phenyl]propanoic acid CAS Name: 3-[2-butoxy-4-[3-(4-butylsulfonyloxy-3-methoxyphenyl)propyl]phenyl]propanoic acid IUPAC Name: 3-[2-butoxy-4-[3-(4-butylsulfonyloxy-3-methoxyphenyl)propyl]phenyl]propanoic acid Traditional Name: 3-[2-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)CCCC2=CC(=C(C=C2)OS(=O)(=O)CCCC)OC)CCC(=O)O

Isomeric SMILES

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

InChI

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