[2-(10-acetyloxydecyl)-5,6-dimethoxy-3-methyl-4-sulfonatooxy-phenyl] sulfate

Systemtic Name: [2-(10-acetyloxydecyl)-5,6-dimethoxy-3-methyl-4-sulfonatooxy-phenyl] sulfate Openeye Name: [2-(10-acetoxydecyl)-5,6-dimethoxy-3-methyl-4-sulfonatooxy-phenyl] sulfate CAS Name: [2-(10-acetyloxydecyl)-5,6-dimethoxy-3-methyl-4-sulfonatooxyphenyl] sulfate IUPAC Name: [2-(10-acetyloxydecyl)-5,6-dimethoxy-3-methyl-4-sulfonatooxyphenyl] sulfate Traditional Name: [2-(10-acetoxydecyl)-5,6-dimethoxy-3-methyl-4-sulfato-phenyl] sulfate Formula: C21H32O12S2-2 MolecularWeight: 540.60158

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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)/p-2