3-[4-[3-(3-chloranyl-4-hexylsulfonyloxy-phenyl)propyl]-3-ethoxy-phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(3-chloranyl-4-hexylsulfonyloxy-phenyl)propyl]-3-ethoxy-phenyl]propanoic acid Openeye Name: 3-[4-[3-(3-chloro-4-hexylsulfonyloxy-phenyl)propyl]-3-ethoxy-phenyl]propanoic acid CAS Name: 3-[4-[3-(3-chloro-4-hexylsulfonyloxyphenyl)propyl]-3-ethoxyphenyl]propanoic acid IUPAC Name: 3-[4-[3-(3-chloro-4-hexylsulfonyloxyphenyl)propyl]-3-ethoxyphenyl]propanoic acid Traditional Name: 3-[4-[3-(3-chloro-4-hexylsulfonyloxy-phenyl)propyl]-3-ethoxy-phenyl]propionic acid Formula: C26H35ClO6S MolecularWeight: 511.0705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)OC1=C(C=C(C=C1)CCCC2=C(C=C(C=C2)CCC(=O)O)OCC)Cl

Isomeric SMILES

CCCCCCS(=O)(=O)OC1=C(C=C(C=C1)CCCC2=C(C=C(C=C2)CCC(=O)O)OCC)Cl

InChI

InChI=1S/C26H35ClO6S/c1-3-5-6-7-17-34(30,31)33-24-15-12-20(18-23(24)27)9-8-10-22-14-11-21(13-16-26(28)29)19-25(22)32-4-2/h11-12,14-15,18-19H,3-10,13,16-17H2,1-2H3,(H,28,29)