Butyl benzenesulfonate (C10H14O3S)

Butyl Benzenesulfonate (C10H14O3S; CAS 80-44-4) is a practical retrosynthesis target. Butyl Benzenesulfonate presents a C10 framework, aromatic rings. Open AI route search in one click below.

Target: Butyl benzenesulfonate
CAS: 80-44-4
Formula: C10H14O3S
Approx. MW: 214.28
SMILES: CCCCOS(=O)(=O)c1ccccc1
PubChem CID: 6642
Approx. carbons: C10

Butyl benzenesulfonate structure

Properties

IUPAC name: butyl benzenesulfonate
Common names: BUTYL BENZENESULFONATE; 80-44-4; Benzenesulfonic acid, n-butyl ester; Benzenesulfonic acid, butyl ester; NSC-3215; Y9VFZ9PM33; DTXSID1075357; RefChem:1080378; DTXCID2048165; Benzenesulfonic acid n-butyl ester
Molecular weight: 214.28
Exact mass: 214.07
InChIKey: NIKBCKTWWPVAIC-UHFFFAOYSA-N

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Butyl benzenesulfonate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Butyl benzenesulfonate?

Butyl benzenesulfonate has molecular formula C10H14O3S. Molecular weight about 214.28 g·mol⁻¹.

What is the CAS number of Butyl benzenesulfonate?

The CAS Registry Number for Butyl benzenesulfonate is 80-44-4.

Run AI retrosynthesis for Butyl benzenesulfonate Target catalog AI tools overview

Open the planner with Butyl benzenesulfonate preloaded, then keep routes that match CAS 80-44-4.

Related targets

Similar compounds

Propyl p-toluenesulfonate (Phenylthiomethyl)trimethylsilane 1-(2-ethoxyphenyl)ethanone 1-Allyloxy-4-Methoxybenzene 1-Amino-2-naphthol-4-sulfonic acid 1-Amino-4-bromonaphthalene

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.