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4-[3-methoxy-4-(sulfomethyl)phenoxy]butanoic acid

4-[3-methoxy-4-(sulfomethyl)phenoxy]butanoic acid

Systemtic Name:4-[3-methoxy-4-(sulfomethyl)phenoxy]butanoic acid
Openeye Name:4-[3-methoxy-4-(sulfomethyl)phenoxy]butanoic acid
CAS Name:4-[3-methoxy-4-(sulfomethyl)phenoxy]butanoic acid
IUPAC Name:4-[3-methoxy-4-(sulfomethyl)phenoxy]butanoic acid
Traditional Name:4-[3-methoxy-4-(sulfomethyl)phenoxy]butyric acid
Formula: C12H16O7S
MolecularWeight: 304.31624
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OCCCC(=O)O)CS(=O)(=O)O


Isomeric SMILES

COC1=C(C=CC(=C1)OCCCC(=O)O)CS(=O)(=O)O


InChI

InChI=1S/C12H16O7S/c1-18-11-7-10(19-6-2-3-12(13)14)5-4-9(11)8-20(15,16)17/h4-5,7H,2-3,6,8H2,1H3,(H,13,14)(H,15,16,17)


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