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

Systemtic Name: [2-oxidanyl-4-[(E)-5-(3-oxidanyl-4-sulfonatooxy-phenyl)pent-1-en-4-ynyl]phenyl] sulfate Openeye Name: [2-hydroxy-4-[(E)-5-(3-hydroxy-4-sulfonatooxy-phenyl)pent-1-en-4-ynyl]phenyl] sulfate CAS Name: [2-hydroxy-4-[(E)-5-(3-hydroxy-4-sulfonatooxyphenyl)pent-1-en-4-ynyl]phenyl] sulfate IUPAC Name: [2-hydroxy-4-[(E)-5-(3-hydroxy-4-sulfonatooxyphenyl)pent-1-en-4-ynyl]phenyl] sulfate Traditional Name: [2-hydroxy-4-[(E)-5-(3-hydroxy-4-sulfato-phenyl)pent-1-en-4-ynyl]phenyl] sulfate Formula: C17H12O10S2-2 MolecularWeight: 440.40118

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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)/p-2/b4-2+