disodium 4-nonanoyloxybenzene-1,3-disulfonate

Systemtic Name: disodium 4-nonanoyloxybenzene-1,3-disulfonate Openeye Name: disodium 4-nonanoyloxybenzene-1,3-disulfonate CAS Name: disodium 4-(1-oxononoxy)benzene-1,3-disulfonate IUPAC Name: disodium 4-nonanoyloxybenzene-1,3-disulfonate Traditional Name: disodium 4-pelargonyloxybenzene-1,3-disulfonate Formula: C15H20Na2O8S2 MolecularWeight: 438.42404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=C(C=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCC(=O)OC1=C(C=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C15H22O8S2.2Na/c1-2-3-4-5-6-7-8-15(16)23-13-10-9-12(24(17,18)19)11-14(13)25(20,21)22;;/h9-11H,2-8H2,1H3,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2