[6-ethoxy-2-(6-ethoxy-3-sulfooxy-1-benzothiophen-2-yl)-1-benzothiophen-3-yl] hydrogen sulfate

Systemtic Name: [6-ethoxy-2-(6-ethoxy-3-sulfooxy-1-benzothiophen-2-yl)-1-benzothiophen-3-yl] hydrogen sulfate Openeye Name: [6-ethoxy-2-(6-ethoxy-3-sulfooxy-benzothiophen-2-yl)benzothiophen-3-yl] hydrogen sulfate CAS Name: sulfuric acid [6-ethoxy-2-(6-ethoxy-3-sulfooxy-1-benzothiophen-2-yl)-1-benzothiophen-3-yl] ester IUPAC Name: [6-ethoxy-2-(6-ethoxy-3-sulfooxy-1-benzothiophen-2-yl)-1-benzothiophen-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [6-ethoxy-2-(6-ethoxy-3-sulfoxy-benzothiophen-2-yl)benzothiophen-3-yl] ester Formula: C20H18O10S4 MolecularWeight: 546.61092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=C(S2)C3=C(C4=C(S3)C=C(C=C4)OCC)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=C(S2)C3=C(C4=C(S3)C=C(C=C4)OCC)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C20H18O10S4/c1-3-27-11-5-7-13-15(9-11)31-19(17(13)29-33(21,22)23)20-18(30-34(24,25)26)14-8-6-12(28-4-2)10-16(14)32-20/h5-10H,3-4H2,1-2H3,(H,21,22,23)(H,24,25,26)