Vitas-M small molecule compound

4-ethoxy-2-methylbenzenesulfonate

Catalog ID
STK381472
SMILES CCOc1ccc(c(c1)C)S(=O)(=O)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C9H11O4S MW 215.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H12O4S/c1-3-13-8-4-5-9(7(2)6-8)14(10,11)12/h4-6H,3H2,1-2H3,(H,10,11,12)/p-1
InChIKey
LDYINZVPSFSZPN-UHFFFAOYSA-M
Synonyms

4ethoxy2methylbenzenesulfonate
CCOC1=CC(=C(C=C1)S(=O)(=O)(O))C
CCOc1ccc(c(c1)C)S(=O)(=O)(O)
InChI=1SC9H12O4Sc13138459(7(2)68)14(1011)12h46H3H212H3(H101112)p1
MFCD11853211
ZINC000002953705
ZINC02953705

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.