5-bromanyl-2-[5-[(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid

Systemtic Name: 5-bromanyl-2-[5-[(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid Openeye Name: 5-bromo-2-[5-[(3-oxobenzothiophen-2-ylidene)methyl]-2-furyl]benzoic acid CAS Name: 5-bromo-2-[5-[(3-oxo-1-benzothiophen-2-ylidene)methyl]-2-furanyl]benzoic acid IUPAC Name: 5-bromo-2-[5-[(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 5-bromo-2-[5-[(3-ketobenzothiophen-2-ylidene)methyl]-2-furyl]benzoic acid Formula: C20H11BrO4S MolecularWeight: 427.26794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)Br)C(=O)O)S2

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)Br)C(=O)O)S2

InChI

InChI=1S/C20H11BrO4S/c21-11-5-7-13(15(9-11)20(23)24)16-8-6-12(25-16)10-18-19(22)14-3-1-2-4-17(14)26-18/h1-10H,(H,23,24)