sodium 1,5-dibutoxy-3-butoxycarbonyl-1,5-bis(oxidanylidene)pentane-2-sulfonate

Systemtic Name: sodium 1,5-dibutoxy-3-butoxycarbonyl-1,5-bis(oxidanylidene)pentane-2-sulfonate Openeye Name: sodium 1,5-dibutoxy-3-butoxycarbonyl-1,5-dioxo-pentane-2-sulfonate CAS Name: sodium 1,5-dibutoxy-3-[butoxy(oxo)methyl]-1,5-dioxo-2-pentanesulfonate IUPAC Name: sodium 1,5-dibutoxy-3-butoxycarbonyl-1,5-dioxopentane-2-sulfonate Traditional Name: sodium 1,5-dibutoxy-3-butoxycarbonyl-1,5-diketo-pentane-2-sulfonate Formula: C18H31NaO9S MolecularWeight: 446.48811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(C(C(=O)OCCCC)S(=O)(=O)[O-])C(=O)OCCCC.[Na+]

Isomeric SMILES

CCCCOC(=O)CC(C(C(=O)OCCCC)S(=O)(=O)[O-])C(=O)OCCCC.[Na+]

InChI

InChI=1S/C18H32O9S.Na/c1-4-7-10-25-15(19)13-14(17(20)26-11-8-5-2)16(28(22,23)24)18(21)27-12-9-6-3;/h14,16H,4-13H2,1-3H3,(H,22,23,24);/q;+1/p-1