4-[4-[(5-bromanylthiophen-2-yl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[4-[(5-bromanylthiophen-2-yl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[4-[(5-bromothiophene-2-carbonyl)amino]phenoxy]phthalic acid CAS Name: 4-[4-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[4-[(5-bromothiophene-2-carbonyl)amino]phenoxy]phthalic acid Traditional Name: 4-[4-[(5-bromothiophene-2-carbonyl)amino]phenoxy]phthalic acid Formula: C19H12BrNO6S MolecularWeight: 462.27068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC=C(S2)Br)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC=C(S2)Br)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H12BrNO6S/c20-16-8-7-15(28-16)17(22)21-10-1-3-11(4-2-10)27-12-5-6-13(18(23)24)14(9-12)19(25)26/h1-9H,(H,21,22)(H,23,24)(H,25,26)