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disodium 4,5-di(heptanoyloxy)benzene-1,3-disulfonate

disodium 4,5-di(heptanoyloxy)benzene-1,3-disulfonate

Systemtic Name:disodium 4,5-di(heptanoyloxy)benzene-1,3-disulfonate
Openeye Name:disodium 4,5-di(heptanoyloxy)benzene-1,3-disulfonate
CAS Name:disodium 4,5-bis(1-oxoheptoxy)benzene-1,3-disulfonate
IUPAC Name:disodium 4,5-di(heptanoyloxy)benzene-1,3-disulfonate
Traditional Name:disodium 4,5-dienanthyloxybenzene-1,3-disulfonate
Formula: C20H28Na2O10S2
MolecularWeight: 538.53986
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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-].[Na+].[Na+]


Isomeric SMILES

CCCCCCC(=O)OC1=CC(=CC(=C1OC(=O)CCCCCC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]


InChI

InChI=1S/C20H30O10S2.2Na/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);;/q;2*+1/p-2


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