methyl (Z)-6-(4,5-dimethoxy-2-methyl-3,6-disulfooxy-phenyl)-4-methyl-hex-4-enoate

Systemtic Name: methyl (Z)-6-(4,5-dimethoxy-2-methyl-3,6-disulfooxy-phenyl)-4-methyl-hex-4-enoate Openeye Name: methyl (Z)-6-(4,5-dimethoxy-2-methyl-3,6-disulfooxy-phenyl)-4-methyl-hex-4-enoate CAS Name: (Z)-6-(4,5-dimethoxy-2-methyl-3,6-disulfooxyphenyl)-4-methyl-4-hexenoic acid methyl ester IUPAC Name: methyl (Z)-6-(4,5-dimethoxy-2-methyl-3,6-disulfooxyphenyl)-4-methylhex-4-enoate Traditional Name: (Z)-6-(4,5-dimethoxy-2-methyl-3,6-disulfoxy-phenyl)-4-methyl-hex-4-enoic acid methyl ester Formula: C17H24O12S2 MolecularWeight: 484.49526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OS(=O)(=O)O)OC)OC)OS(=O)(=O)O)CC=C(C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=C(C(=C1OS(=O)(=O)O)OC)OC)OS(=O)(=O)O)C/C=C(/C)\CCC(=O)OC

InChI

InChI=1S/C17H24O12S2/c1-10(7-9-13(18)25-3)6-8-12-11(2)14(28-30(19,20)21)16(26-4)17(27-5)15(12)29-31(22,23)24/h6H,7-9H2,1-5H3,(H,19,20,21)(H,22,23,24)/b10-6-