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

Systemtic Name: 10-(4,5-dimethoxy-2-methyl-3,6-disulfooxy-phenyl)decyl ethanoate Openeye Name: 10-(4,5-dimethoxy-2-methyl-3,6-disulfooxy-phenyl)decyl acetate CAS Name: acetic acid 10-(4,5-dimethoxy-2-methyl-3,6-disulfooxyphenyl)decyl ester IUPAC Name: 10-(4,5-dimethoxy-2-methyl-3,6-disulfooxyphenyl)decyl acetate Traditional Name: acetic acid 10-(4,5-dimethoxy-2-methyl-3,6-disulfoxy-phenyl)decyl ester Formula: C21H34O12S2 MolecularWeight: 542.61746

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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)CCCCCCCCCCOC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H34O12S2/c1-15-17(13-11-9-7-5-6-8-10-12-14-31-16(2)22)19(33-35(26,27)28)21(30-4)20(29-3)18(15)32-34(23,24)25/h5-14H2,1-4H3,(H,23,24,25)(H,26,27,28)