sodium 4-butanoyloxybenzenesulfonate

Systemtic Name: sodium 4-butanoyloxybenzenesulfonate Openeye Name: sodium 4-butanoyloxybenzenesulfonate CAS Name: sodium 4-(1-oxobutoxy)benzenesulfonate IUPAC Name: sodium 4-butanoyloxybenzenesulfonate Traditional Name: sodium 4-butyryloxybesylate Formula: C10H11NaO5S MolecularWeight: 266.24611

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H12O5S.Na/c1-2-3-10(11)15-8-4-6-9(7-5-8)16(12,13)14;/h4-7H,2-3H2,1H3,(H,12,13,14);/q;+1/p-1