Vitas-M small molecule compound

2-carboxy-4-(pentyloxy)benzenesulfonate

Catalog ID
STK381467
SMILES CCCCCOc1ccc(c(c1)C(=O)O)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 C12H15O6S MW 287.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16O6S/c1-2-3-4-7-18-9-5-6-11(19(15,16)17)10(8-9)12(13)14/h5-6,8H,2-4,7H2,1H3,(H,13,14)(H,15,16,17)/p-1
InChIKey
NHRFYAIHXVYZLT-UHFFFAOYSA-M
Synonyms

2carboxy4(pentyloxy)benzenesulfonate
2CARBOXY4PENTOXYBENZENESULFONATE
CCCCCOC1=CC(=C(C=C1)S(=O)(=O)(O))C(=O)O
CCCCCOc1ccc(c(c1)C(=O)O)S(=O)(=O)(O)
InChI=1SC12H16O6Sc123471895611(19(1516)17)10(89)12(13)14h568H247H21H3(H1314)(H151617)p1
MFCD11853207
ZINC000004543472

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Available files

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