sodium 4-[1-[4-methyl-2,5-bis(oxidanylidene)oxolan-3-yl]propyl]benzenesulfonate

Systemtic Name: sodium 4-[1-[4-methyl-2,5-bis(oxidanylidene)oxolan-3-yl]propyl]benzenesulfonate Openeye Name: sodium 4-[1-(4-methyl-2,5-dioxo-tetrahydrofuran-3-yl)propyl]benzenesulfonate CAS Name: sodium 4-[1-(4-methyl-2,5-dioxo-3-oxolanyl)propyl]benzenesulfonate IUPAC Name: sodium 4-[1-(4-methyl-2,5-dioxooxolan-3-yl)propyl]benzenesulfonate Traditional Name: sodium 4-[1-(2,5-diketo-4-methyl-tetrahydrofuran-3-yl)propyl]besylate Formula: C14H15NaO6S MolecularWeight: 334.32007

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(C(=O)OC1=O)C)C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(C1C(C(=O)OC1=O)C)C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H16O6S.Na/c1-3-11(12-8(2)13(15)20-14(12)16)9-4-6-10(7-5-9)21(17,18)19;/h4-8,11-12H,3H2,1-2H3,(H,17,18,19);/q;+1/p-1