sodium 4-[(2S)-2-ethylhex-5-enoxy]-1-oxidanyl-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 4-[(2S)-2-ethylhex-5-enoxy]-1-oxidanyl-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 4-[(2S)-2-ethylhex-5-enoxy]-1-hydroxy-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 4-[(2S)-2-ethylhex-5-enoxy]-1-hydroxy-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 4-[(2S)-2-ethylhex-5-enoxy]-1-hydroxy-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 4-[(2S)-2-ethylhex-5-enoxy]-1-hydroxy-1,4-diketo-butane-2-sulfonate Formula: C12H19NaO7S MolecularWeight: 330.32983

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC=C)COC(=O)CC(C(=O)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC[C@@H](CCC=C)COC(=O)CC(C(=O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H20O7S.Na/c1-3-5-6-9(4-2)8-19-11(13)7-10(12(14)15)20(16,17)18;/h3,9-10H,1,4-8H2,2H3,(H,14,15)(H,16,17,18);/q;+1/p-1/t9-,10?;/m0./s1