[4-[(Z)-hex-4-enoyl]-2,6-dimethyl-3-oxidanyl-phenyl] hydrogen sulfate

Systemtic Name: [4-[(Z)-hex-4-enoyl]-2,6-dimethyl-3-oxidanyl-phenyl] hydrogen sulfate Openeye Name: [4-[(Z)-hex-4-enoyl]-3-hydroxy-2,6-dimethyl-phenyl] hydrogen sulfate CAS Name: sulfuric acid [3-hydroxy-2,6-dimethyl-4-[(Z)-1-oxohex-4-enyl]phenyl] ester IUPAC Name: [4-[(Z)-hex-4-enoyl]-3-hydroxy-2,6-dimethylphenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-[(Z)-hex-4-enoyl]-3-hydroxy-2,6-dimethyl-phenyl] ester Formula: C14H18O6S MolecularWeight: 314.35412

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCC(=O)C1=CC(=C(C(=C1O)C)OS(=O)(=O)O)C

Isomeric SMILES

C/C=C\CCC(=O)C1=CC(=C(C(=C1O)C)OS(=O)(=O)O)C

InChI

InChI=1S/C14H18O6S/c1-4-5-6-7-12(15)11-8-9(2)14(10(3)13(11)16)20-21(17,18)19/h4-5,8,16H,6-7H2,1-3H3,(H,17,18,19)/b5-4-