3-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]carbonyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]carbonyl]phenyl]propanoic acid Openeye Name: 3-[4-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophene-3-carbonyl]phenyl]propanoic acid CAS Name: 3-[4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenyl]propanoic acid Traditional Name: 3-[4-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophene-3-carbonyl]phenyl]propionic acid Formula: C24H18O5S MolecularWeight: 418.46172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C24H18O5S/c25-17-8-6-16(7-9-17)24-22(19-11-10-18(26)13-20(19)30-24)23(29)15-4-1-14(2-5-15)3-12-21(27)28/h1-2,4-11,13,25-26H,3,12H2,(H,27,28)