2-[3-(1-oxidanyl-1-oxidanylidene-hexan-2-yl)phenyl]carbonylthieno[2,3-b]thiophene-5-carboxylic acid

Systemtic Name: 2-[3-(1-oxidanyl-1-oxidanylidene-hexan-2-yl)phenyl]carbonylthieno[2,3-b]thiophene-5-carboxylic acid Openeye Name: 2-[3-(1-carboxypentyl)benzoyl]thieno[2,3-b]thiophene-5-carboxylic acid CAS Name: 2-[[3-(1-hydroxy-1-oxohexan-2-yl)phenyl]-oxomethyl]-5-thieno[2,3-b]thiophenecarboxylic acid IUPAC Name: 2-[3-(1-hydroxy-1-oxohexan-2-yl)benzoyl]thieno[2,3-b]thiophene-5-carboxylic acid Traditional Name: 2-[3-(1-carboxypentyl)benzoyl]thieno[2,3-b]thiophene-5-carboxylic acid Formula: C20H18O5S2 MolecularWeight: 402.48392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC(=C1)C(=O)C2=CC3=C(S2)SC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(C1=CC=CC(=C1)C(=O)C2=CC3=C(S2)SC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H18O5S2/c1-2-3-7-14(18(22)23)11-5-4-6-12(8-11)17(21)15-9-13-10-16(19(24)25)27-20(13)26-15/h4-6,8-10,14H,2-3,7H2,1H3,(H,22,23)(H,24,25)