3-[4-(3-sulfonatopropoxy)but-2-ynoxy]propane-1-sulfonate

Systemtic Name: 3-[4-(3-sulfonatopropoxy)but-2-ynoxy]propane-1-sulfonate Openeye Name: 3-[4-(3-sulfonatopropoxy)but-2-ynoxy]propane-1-sulfonate CAS Name: 3-[4-(3-sulfonatopropoxy)but-2-ynoxy]-1-propanesulfonate IUPAC Name: 3-[4-(3-sulfonatopropoxy)but-2-ynoxy]propane-1-sulfonate Traditional Name: 3-[4-(3-sulfonatopropoxy)but-2-ynoxy]propane-1-sulfonate Formula: C10H16O8S2-2 MolecularWeight: 328.35924

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Descriptors Computed from Structure

Canonical SMILES:

C(COCC#CCOCCCS(=O)(=O)[O-])CS(=O)(=O)[O-]

Isomeric SMILES

C(COCC#CCOCCCS(=O)(=O)[O-])CS(=O)(=O)[O-]

InChI

InChI=1S/C10H18O8S2/c11-19(12,13)9-3-7-17-5-1-2-6-18-8-4-10-20(14,15)16/h3-10H2,(H,11,12,13)(H,14,15,16)/p-2