3-ethoxycarbonyl-3-sulfo-nonanoate

Systemtic Name: 3-ethoxycarbonyl-3-sulfo-nonanoate Openeye Name: 3-ethoxycarbonyl-3-sulfo-nonanoate CAS Name: 3-ethoxycarbonyl-3-sulfononanoate IUPAC Name: 3-ethoxycarbonyl-3-sulfononanoate Traditional Name: 3-carbethoxy-3-sulfo-pelargonate Formula: C12H21O7S- MolecularWeight: 309.35594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(=O)[O-])(C(=O)OCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCC(CC(=O)[O-])(C(=O)OCC)S(=O)(=O)O

InChI

InChI=1S/C12H22O7S/c1-3-5-6-7-8-12(9-10(13)14,20(16,17)18)11(15)19-4-2/h3-9H2,1-2H3,(H,13,14)(H,16,17,18)/p-1