(Z)-6-(4,5-dimethoxy-2-methyl-3-oxidanyl-6-sulfooxy-phenyl)-4-methyl-hex-4-enoic acid

Systemtic Name: (Z)-6-(4,5-dimethoxy-2-methyl-3-oxidanyl-6-sulfooxy-phenyl)-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-(3-hydroxy-4,5-dimethoxy-2-methyl-6-sulfooxy-phenyl)-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-(3-hydroxy-4,5-dimethoxy-2-methyl-6-sulfooxyphenyl)-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-(3-hydroxy-4,5-dimethoxy-2-methyl-6-sulfooxyphenyl)-4-methylhex-4-enoic acid Traditional Name: (Z)-6-(3-hydroxy-4,5-dimethoxy-2-methyl-6-sulfoxy-phenyl)-4-methyl-hex-4-enoic acid Formula: C16H22O9S MolecularWeight: 390.40548

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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)/b9-5-