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

Systemtic Name: 3-[4-[3-(4-butylsulfonyloxy-3-methoxy-phenyl)propyl]-2-(cyclopropylmethoxy)phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-butylsulfonyloxy-3-methoxy-phenyl)propyl]-2-(cyclopropylmethoxy)phenyl]propanoic acid CAS Name: 3-[4-[3-(4-butylsulfonyloxy-3-methoxyphenyl)propyl]-2-(cyclopropylmethoxy)phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-butylsulfonyloxy-3-methoxyphenyl)propyl]-2-(cyclopropylmethoxy)phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-butylsulfonyloxy-3-methoxy-phenyl)propyl]-2-(cyclopropylmethoxy)phenyl]propionic acid Formula: C27H36O7S MolecularWeight: 504.63554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=C(C=C(C=C1)CCCC2=CC(=C(C=C2)CCC(=O)O)OCC3CC3)OC

Isomeric SMILES

CCCCS(=O)(=O)OC1=C(C=C(C=C1)CCCC2=CC(=C(C=C2)CCC(=O)O)OCC3CC3)OC

InChI

InChI=1S/C27H36O7S/c1-3-4-16-35(30,31)34-24-14-11-21(18-26(24)32-2)7-5-6-20-10-12-23(13-15-27(28)29)25(17-20)33-19-22-8-9-22/h10-12,14,17-18,22H,3-9,13,15-16,19H2,1-2H3,(H,28,29)