(E)-4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-keto-but-2-enoic acid Formula: C24H26O8S MolecularWeight: 474.52344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C24H26O8S/c1-3-5-20-22(12-10-19(16(2)25)24(20)29)32-14-4-15-33(30,31)18-8-6-17(7-9-18)21(26)11-13-23(27)28/h6-13,29H,3-5,14-15H2,1-2H3,(H,27,28)/b13-11+