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

Systemtic Name: 4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]carbonyl]benzoic acid Openeye Name: 4-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophene-3-carbonyl]benzoic acid CAS Name: 4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-oxomethyl]benzoic acid IUPAC Name: 4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]benzoic acid Traditional Name: 4-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophene-3-carbonyl]benzoic acid Formula: C22H14O5S MolecularWeight: 390.40856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)C(=O)O)O

InChI

InChI=1S/C22H14O5S/c23-15-7-5-13(6-8-15)21-19(17-10-9-16(24)11-18(17)28-21)20(25)12-1-3-14(4-2-12)22(26)27/h1-11,23-24H,(H,26,27)