disodium (E)-2-ethyl-3-propan-2-ylsulfanyl-but-2-enedioate

Systemtic Name: disodium (E)-2-ethyl-3-propan-2-ylsulfanyl-but-2-enedioate Openeye Name: disodium (E)-2-ethyl-3-isopropylsulfanyl-but-2-enedioate CAS Name: disodium (E)-2-ethyl-3-(propan-2-ylthio)-2-butenedioate IUPAC Name: disodium (E)-2-ethyl-3-propan-2-ylsulfanylbut-2-enedioate Traditional Name: disodium (E)-2-ethyl-3-(isopropylthio)but-2-enedioate Formula: C9H12Na2O4S MolecularWeight: 262.23372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C(=O)[O-])SC(C)C)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC/C(=C(/C(=O)[O-])\SC(C)C)/C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C9H14O4S.2Na/c1-4-6(8(10)11)7(9(12)13)14-5(2)3;;/h5H,4H2,1-3H3,(H,10,11)(H,12,13);;/q;2*+1/p-2/b7-6+;;