[2-oxidanyl-4-[(E)-5-(3-oxidanyl-4-sulfooxy-phenyl)pent-1-en-4-ynyl]phenyl] hydrogen sulfate

Systemtic Name: [2-oxidanyl-4-[(E)-5-(3-oxidanyl-4-sulfooxy-phenyl)pent-1-en-4-ynyl]phenyl] hydrogen sulfate Openeye Name: [2-hydroxy-4-[(E)-5-(3-hydroxy-4-sulfooxy-phenyl)pent-1-en-4-ynyl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [2-hydroxy-4-[(E)-5-(3-hydroxy-4-sulfooxyphenyl)pent-1-en-4-ynyl]phenyl] ester IUPAC Name: [2-hydroxy-4-[(E)-5-(3-hydroxy-4-sulfooxyphenyl)pent-1-en-4-ynyl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [2-hydroxy-4-[(E)-5-(3-hydroxy-4-sulfoxy-phenyl)pent-1-en-4-ynyl]phenyl] ester Formula: C17H14O10S2 MolecularWeight: 442.41706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CCC#CC2=CC(=C(C=C2)OS(=O)(=O)O)O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1/C=C/CC#CC2=CC(=C(C=C2)OS(=O)(=O)O)O)O)OS(=O)(=O)O

InChI

InChI=1S/C17H14O10S2/c18-14-10-12(6-8-16(14)26-28(20,21)22)4-2-1-3-5-13-7-9-17(15(19)11-13)27-29(23,24)25/h2,4,6-11,18-19H,1H2,(H,20,21,22)(H,23,24,25)/b4-2+