10-(4,5-dimethoxy-2-methyl-3,6-disulfooxy-phenyl)decanoic acid

Systemtic Name: 10-(4,5-dimethoxy-2-methyl-3,6-disulfooxy-phenyl)decanoic acid Openeye Name: 10-(4,5-dimethoxy-2-methyl-3,6-disulfooxy-phenyl)decanoic acid CAS Name: 10-(4,5-dimethoxy-2-methyl-3,6-disulfooxyphenyl)decanoic acid IUPAC Name: 10-(4,5-dimethoxy-2-methyl-3,6-disulfooxyphenyl)decanoic acid Traditional Name: 10-(4,5-dimethoxy-2-methyl-3,6-disulfoxy-phenyl)capric acid Formula: C19H30O12S2 MolecularWeight: 514.5643

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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)CCCCCCCCCC(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1OS(=O)(=O)O)OC)OC)OS(=O)(=O)O)CCCCCCCCCC(=O)O

InChI

InChI=1S/C19H30O12S2/c1-13-14(11-9-7-5-4-6-8-10-12-15(20)21)17(31-33(25,26)27)19(29-3)18(28-2)16(13)30-32(22,23)24/h4-12H2,1-3H3,(H,20,21)(H,22,23,24)(H,25,26,27)