2-[[3,7-bis(chloranyl)-6-methoxy-1-benzothiophen-2-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[3,7-bis(chloranyl)-6-methoxy-1-benzothiophen-2-yl]carbonylamino]terephthalic acid Openeye Name: 2-[(3,7-dichloro-6-methoxy-benzothiophene-2-carbonyl)amino]terephthalic acid CAS Name: 2-[[(3,7-dichloro-6-methoxy-1-benzothiophen-2-yl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(3,7-dichloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]terephthalic acid Traditional Name: 2-[(3,7-dichloro-6-methoxy-benzothiophene-2-carbonyl)amino]terephthalic acid Formula: C18H11Cl2NO6S MolecularWeight: 440.25404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)Cl)Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)Cl)Cl

InChI

InChI=1S/C18H11Cl2NO6S/c1-27-11-5-4-9-12(19)15(28-14(9)13(11)20)16(22)21-10-6-7(17(23)24)2-3-8(10)18(25)26/h2-6H,1H3,(H,21,22)(H,23,24)(H,25,26)