10-(4,5-dimethoxy-2-methyl-3-oxidanyl-6-sulfooxy-phenyl)decyl ethanoate

Systemtic Name: 10-(4,5-dimethoxy-2-methyl-3-oxidanyl-6-sulfooxy-phenyl)decyl ethanoate Openeye Name: 10-(3-hydroxy-4,5-dimethoxy-2-methyl-6-sulfooxy-phenyl)decyl acetate CAS Name: acetic acid 10-(3-hydroxy-4,5-dimethoxy-2-methyl-6-sulfooxyphenyl)decyl ester IUPAC Name: 10-(3-hydroxy-4,5-dimethoxy-2-methyl-6-sulfooxyphenyl)decyl acetate Traditional Name: acetic acid 10-(3-hydroxy-4,5-dimethoxy-2-methyl-6-sulfoxy-phenyl)decyl ester Formula: C21H34O9S MolecularWeight: 462.55426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)OC)OC)OS(=O)(=O)O)CCCCCCCCCCOC(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=C1O)OC)OC)OS(=O)(=O)O)CCCCCCCCCCOC(=O)C

InChI

InChI=1S/C21H34O9S/c1-15-17(13-11-9-7-5-6-8-10-12-14-29-16(2)22)19(30-31(24,25)26)21(28-4)20(27-3)18(15)23/h23H,5-14H2,1-4H3,(H,24,25,26)