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

Systemtic Name: 10-(4,5-dimethoxy-2-methyl-6-oxidanyl-3-sulfooxy-phenyl)decanoic acid Openeye Name: 10-(2-hydroxy-3,4-dimethoxy-6-methyl-5-sulfooxy-phenyl)decanoic acid CAS Name: 10-(2-hydroxy-3,4-dimethoxy-6-methyl-5-sulfooxyphenyl)decanoic acid IUPAC Name: 10-(2-hydroxy-3,4-dimethoxy-6-methyl-5-sulfooxyphenyl)decanoic acid Traditional Name: 10-(2-hydroxy-3,4-dimethoxy-6-methyl-5-sulfoxy-phenyl)capric acid Formula: C19H30O9S MolecularWeight: 434.5011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30O9S/c1-13-14(11-9-7-5-4-6-8-10-12-15(20)21)16(22)18(26-2)19(27-3)17(13)28-29(23,24)25/h22H,4-12H2,1-3H3,(H,20,21)(H,23,24,25)