methyl 2-(4-acetyloxybutoxy)-5-[(2R)-2,3-disulfooxypropoxy]benzoate

Systemtic Name: methyl 2-(4-acetyloxybutoxy)-5-[(2R)-2,3-disulfooxypropoxy]benzoate Openeye Name: methyl 2-(4-acetoxybutoxy)-5-[(2R)-2,3-disulfooxypropoxy]benzoate CAS Name: 2-(4-acetyloxybutoxy)-5-[(2R)-2,3-disulfooxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 2-(4-acetyloxybutoxy)-5-[(2R)-2,3-disulfooxypropoxy]benzoate Traditional Name: 2-(4-acetoxybutoxy)-5-[(2R)-2,3-disulfoxypropoxy]benzoic acid methyl ester Formula: C17H24O14S2 MolecularWeight: 516.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCOC1=C(C=C(C=C1)OCC(COS(=O)(=O)O)OS(=O)(=O)O)C(=O)OC

Isomeric SMILES

CC(=O)OCCCCOC1=C(C=C(C=C1)OC[C@H](COS(=O)(=O)O)OS(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C17H24O14S2/c1-12(18)27-7-3-4-8-28-16-6-5-13(9-15(16)17(19)26-2)29-10-14(31-33(23,24)25)11-30-32(20,21)22/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3,(H,20,21,22)(H,23,24,25)/t14-/m1/s1