2,3-dihydro-1-benzothiophene-5,6-dicarboxylic acid; zirconium

Systemtic Name: 2,3-dihydro-1-benzothiophene-5,6-dicarboxylic acid; zirconium Openeye Name: 2,3-dihydrobenzothiophene-5,6-dicarboxylic acid; zirconium CAS Name: 2,3-dihydro-1-benzothiophene-5,6-dicarboxylic acid; zirconium IUPAC Name: 2,3-dihydro-1-benzothiophene-5,6-dicarboxylic acid; zirconium Traditional Name: 2,3-dihydrobenzothiophene-5,6-dicarboxylic acid; zirconium Formula: C20H16O8S2Zr MolecularWeight: 539.69024

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C1C=C(C(=C2)C(=O)O)C(=O)O.C1CSC2=C1C=C(C(=C2)C(=O)O)C(=O)O.[Zr]

Isomeric SMILES

C1CSC2=C1C=C(C(=C2)C(=O)O)C(=O)O.C1CSC2=C1C=C(C(=C2)C(=O)O)C(=O)O.[Zr]

InChI

InChI=1S/2C10H8O4S.Zr/c2*11-9(12)6-3-5-1-2-15-8(5)4-7(6)10(13)14;/h2*3-4H,1-2H2,(H,11,12)(H,13,14);