1,4,6,9-tetrakis(bromanyl)-4H-thianthrene-1,3,7,8-tetracarboxylic acid

Systemtic Name: 1,4,6,9-tetrakis(bromanyl)-4H-thianthrene-1,3,7,8-tetracarboxylic acid Openeye Name: 1,4,6,9-tetrabromo-4H-thianthrene-1,3,7,8-tetracarboxylic acid CAS Name: 1,4,6,9-tetrabromo-4H-thianthrene-1,3,7,8-tetracarboxylic acid IUPAC Name: 1,4,6,9-tetrabromo-4H-thianthrene-1,3,7,8-tetracarboxylic acid Traditional Name: 1,4,6,9-tetrabromo-4H-thianthrene-1,3,7,8-tetracarboxylic acid Formula: C16H6Br4O8S2 MolecularWeight: 709.96004

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(C2=C(C1(C(=O)O)Br)SC3=C(C(=C(C(=C3S2)Br)C(=O)O)C(=O)O)Br)Br)C(=O)O

Isomeric SMILES

C1=C(C(C2=C(C1(C(=O)O)Br)SC3=C(C(=C(C(=C3S2)Br)C(=O)O)C(=O)O)Br)Br)C(=O)O

InChI

InChI=1S/C16H6Br4O8S2/c17-5-2(12(21)22)1-16(20,15(27)28)11-10(5)29-8-6(18)3(13(23)24)4(14(25)26)7(19)9(8)30-11/h1,5H,(H,21,22)(H,23,24)(H,25,26)(H,27,28)