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

Systemtic Name: 4-[4-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butoxy]phenyl]sulfanylbenzoic acid Openeye Name: 4-[4-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butoxy]phenyl]sulfanylbenzoic acid CAS Name: 4-[[4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butoxy]phenyl]thio]benzoic acid IUPAC Name: 4-[4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butoxy]phenyl]sulfanylbenzoic acid Traditional Name: 4-[[4-[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=C(C=C2)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCOC2=CC=C(C=C2)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C28H30O6S/c1-3-6-25-26(16-15-24(19(2)29)27(25)30)34-18-5-4-17-33-21-9-13-23(14-10-21)35-22-11-7-20(8-12-22)28(31)32/h7-16,30H,3-6,17-18H2,1-2H3,(H,31,32)