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

Systemtic Name: 4,5-di(nonanoyloxy)benzene-1,3-disulfonic acid Openeye Name: 4,5-di(nonanoyloxy)benzene-1,3-disulfonic acid CAS Name: 4,5-bis(1-oxononoxy)benzene-1,3-disulfonic acid IUPAC Name: 4,5-di(nonanoyloxy)benzene-1,3-disulfonic acid Traditional Name: 4,5-dipelargonyloxybenzene-1,3-disulfonic acid Formula: C24H38O10S2 MolecularWeight: 550.68252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC(=CC(=C1OC(=O)CCCCCCCC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC(=CC(=C1OC(=O)CCCCCCCC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H38O10S2/c1-3-5-7-9-11-13-15-22(25)33-20-17-19(35(27,28)29)18-21(36(30,31)32)24(20)34-23(26)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3,(H,27,28,29)(H,30,31,32)