2-[3-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butoxy]phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[3-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butoxy]phenyl]sulfanylbenzoic acid Openeye Name: 2-[3-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butoxy]phenyl]sulfanylbenzoic acid CAS Name: 2-[[3-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butoxy]phenyl]thio]benzoic acid IUPAC Name: 2-[3-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butoxy]phenyl]sulfanylbenzoic acid Traditional Name: 2-[[3-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butoxy]phenyl]thio]benzoic acid Formula: C28H30O6S MolecularWeight: 494.5992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCOC2=CC(=CC=C2)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCOC2=CC(=CC=C2)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C28H30O6S/c1-3-9-23-25(15-14-22(19(2)29)27(23)30)34-17-7-6-16-33-20-10-8-11-21(18-20)35-26-13-5-4-12-24(26)28(31)32/h4-5,8,10-15,18,30H,3,6-7,9,16-17H2,1-2H3,(H,31,32)