2-[2-[4-[3-(4-acetyloxy-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[2-[4-[3-(4-acetyloxy-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[2-[4-[3-(4-acetoxy-3-hydroxy-2-propyl-phenoxy)propoxy]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[2-[[4-[3-(4-acetyloxy-3-hydroxy-2-propylphenoxy)propoxy]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[2-[4-[3-(4-acetyloxy-3-hydroxy-2-propylphenoxy)propoxy]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[2-[[4-[3-(4-acetoxy-3-hydroxy-2-propyl-phenoxy)propoxy]phenyl]thio]phenyl]acetic acid Formula: C28H30O7S MolecularWeight: 510.5986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)OC(=O)C)OCCCOC2=CC=C(C=C2)SC3=CC=CC=C3CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)OC(=O)C)OCCCOC2=CC=C(C=C2)SC3=CC=CC=C3CC(=O)O

InChI

InChI=1S/C28H30O7S/c1-3-7-23-24(14-15-25(28(23)32)35-19(2)29)34-17-6-16-33-21-10-12-22(13-11-21)36-26-9-5-4-8-20(26)18-27(30)31/h4-5,8-15,32H,3,6-7,16-18H2,1-2H3,(H,30,31)