3-(4-sulfophenyl)butanoate

Chemical Formula:

C₁₀H₁₀O₅S

Molecular Weight:

242.246 Daltons

Monoisotopic Mass:

244.0405441857 Daltons

SMILES:

CC(CC(=O)[O-])C1(C=CC(S(=O)(=O)[O-])=CC=1)

InChI:

1S/C10H12O5S/c1-7(6-10(11)12)8-2-4-9(5-3-8)16(13,14)15/h2-5,7H,6H2,1H3,(H,11,12)(H,13,14,15)/p-2

InChIKey:

MRXFSOHFNUZITK-UHFFFAOYSA-L

Synonyms

3-(4-sulfophenyl)butyrate

Databases

MetaCyc: CPD-16865

PubChem (CID): 46173017

MetaNetX: MNXM148642