2-[2,3-bis(oxidanyl)propoxy]-5-dodecyl-benzene-1,3-disulfonic acid

Systemtic Name: 2-[2,3-bis(oxidanyl)propoxy]-5-dodecyl-benzene-1,3-disulfonic acid Openeye Name: 2-(2,3-dihydroxypropoxy)-5-dodecyl-benzene-1,3-disulfonic acid CAS Name: 2-(2,3-dihydroxypropoxy)-5-dodecylbenzene-1,3-disulfonic acid IUPAC Name: 2-(2,3-dihydroxypropoxy)-5-dodecylbenzene-1,3-disulfonic acid Traditional Name: 2-glyceryloxy-5-lauryl-benzene-1,3-disulfonic acid Formula: C21H36O9S2 MolecularWeight: 496.63514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C(=C1)S(=O)(=O)O)OCC(CO)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C(=C1)S(=O)(=O)O)OCC(CO)O)S(=O)(=O)O

InChI

InChI=1S/C21H36O9S2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-19(31(24,25)26)21(30-16-18(23)15-22)20(14-17)32(27,28)29/h13-14,18,22-23H,2-12,15-16H2,1H3,(H,24,25,26)(H,27,28,29)