4,5-di(heptanoyloxy)benzene-1,3-disulfonic acid

Systemtic Name: 4,5-di(heptanoyloxy)benzene-1,3-disulfonic acid Openeye Name: 4,5-di(heptanoyloxy)benzene-1,3-disulfonic acid CAS Name: 4,5-bis(1-oxoheptoxy)benzene-1,3-disulfonic acid IUPAC Name: 4,5-di(heptanoyloxy)benzene-1,3-disulfonic acid Traditional Name: 4,5-dienanthyloxybenzene-1,3-disulfonic acid Formula: C20H30O10S2 MolecularWeight: 494.5762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC(=CC(=C1OC(=O)CCCCCC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCC(=O)OC1=CC(=CC(=C1OC(=O)CCCCCC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H30O10S2/c1-3-5-7-9-11-18(21)29-16-13-15(31(23,24)25)14-17(32(26,27)28)20(16)30-19(22)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H,23,24,25)(H,26,27,28)