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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30O7S/c1-3-7-24-25(14-15-26(27(24)30)35-19(2)29)34-17-5-4-16-33-21-8-6-9-23(18-21)36-22-12-10-20(11-13-22)28(31)32/h6,8-15,18,30H,3-5,7,16-17H2,1-2H3,(H,31,32)