sodium 4-but-2-ynoxybenzenesulfonate

Systemtic Name: sodium 4-but-2-ynoxybenzenesulfonate Openeye Name: sodium 4-but-2-ynoxybenzenesulfonate CAS Name: sodium 4-but-2-ynoxybenzenesulfonate IUPAC Name: sodium 4-but-2-ynoxybenzenesulfonate Traditional Name: sodium 4-but-2-ynoxybesylate Formula: C10H9NaO4S MolecularWeight: 248.23083

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H10O4S.Na/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13;/h4-7H,8H2,1H3,(H,11,12,13);/q;+1/p-1