[2,3-dimethoxy-5-methyl-6-[(Z)-3-methyl-6-oxidanyl-6-oxidanylidene-hex-2-enyl]-4-oxidanyl-phenyl] sulfate

Systemtic Name: [2,3-dimethoxy-5-methyl-6-[(Z)-3-methyl-6-oxidanyl-6-oxidanylidene-hex-2-enyl]-4-oxidanyl-phenyl] sulfate Openeye Name: [4-hydroxy-2-[(Z)-6-hydroxy-3-methyl-6-oxo-hex-2-enyl]-5,6-dimethoxy-3-methyl-phenyl] sulfate CAS Name: [4-hydroxy-2-[(Z)-6-hydroxy-3-methyl-6-oxohex-2-enyl]-5,6-dimethoxy-3-methylphenyl] sulfate IUPAC Name: [4-hydroxy-2-[(Z)-6-hydroxy-3-methyl-6-oxohex-2-enyl]-5,6-dimethoxy-3-methylphenyl] sulfate Traditional Name: [4-hydroxy-2-[(Z)-6-hydroxy-6-keto-3-methyl-hex-2-enyl]-5,6-dimethoxy-3-methyl-phenyl] sulfate Formula: C16H21O9S- MolecularWeight: 389.39754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)OC)OC)OS(=O)(=O)[O-])CC=C(C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1O)OC)OC)OS(=O)(=O)[O-])C/C=C(/C)\CCC(=O)O

InChI

InChI=1S/C16H22O9S/c1-9(6-8-12(17)18)5-7-11-10(2)13(19)15(23-3)16(24-4)14(11)25-26(20,21)22/h5,19H,6-8H2,1-4H3,(H,17,18)(H,20,21,22)/p-1/b9-5-