[4-[(E)-4-(4-sulfooxyphenyl)hex-3-en-3-yl]phenyl] hydrogen sulfate

Systemtic Name: [4-[(E)-4-(4-sulfooxyphenyl)hex-3-en-3-yl]phenyl] hydrogen sulfate Openeye Name: [4-[(E)-1-ethyl-2-(4-sulfooxyphenyl)but-1-enyl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-[(E)-4-(4-sulfooxyphenyl)hex-3-en-3-yl]phenyl] ester IUPAC Name: [4-[(E)-4-(4-sulfooxyphenyl)hex-3-en-3-yl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-[(E)-1-ethyl-2-(4-sulfoxyphenyl)but-1-enyl]phenyl] ester Formula: C18H20O8S2 MolecularWeight: 428.4766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O8S2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H,19,20,21)(H,22,23,24)/b18-17+