[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-sulfooxy-phenyl] hydrogen sulfate

Systemtic Name: [3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-sulfooxy-phenyl] hydrogen sulfate Openeye Name: [3-[(E)-2-(4-hydroxyphenyl)vinyl]-5-sulfooxy-phenyl] hydrogen sulfate CAS Name: sulfuric acid [3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-sulfooxyphenyl] ester IUPAC Name: [3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-sulfooxyphenyl] hydrogen sulfate Traditional Name: sulfuric acid [3-[(E)-2-(4-hydroxyphenyl)vinyl]-5-sulfoxy-phenyl] ester Formula: C14H12O9S2 MolecularWeight: 388.36968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OS(=O)(=O)O)OS(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)OS(=O)(=O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C14H12O9S2/c15-12-5-3-10(4-6-12)1-2-11-7-13(22-24(16,17)18)9-14(8-11)23-25(19,20)21/h1-9,15H,(H,16,17,18)(H,19,20,21)/b2-1+