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4-[4-(chloromethyl)phenyl]-2-sulfo-butanoic acid

4-[4-(chloromethyl)phenyl]-2-sulfo-butanoic acid

Systemtic Name:4-[4-(chloromethyl)phenyl]-2-sulfo-butanoic acid
Openeye Name:4-[4-(chloromethyl)phenyl]-2-sulfo-butanoic acid
CAS Name:4-[4-(chloromethyl)phenyl]-2-sulfobutanoic acid
IUPAC Name:4-[4-(chloromethyl)phenyl]-2-sulfobutanoic acid
Traditional Name:4-[4-(chloromethyl)phenyl]-2-sulfo-butyric acid
Formula: C11H13ClO5S
MolecularWeight: 292.73592
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C(=O)O)S(=O)(=O)O)CCl


Isomeric SMILES

C1=CC(=CC=C1CCC(C(=O)O)S(=O)(=O)O)CCl


InChI

InChI=1S/C11H13ClO5S/c12-7-9-3-1-8(2-4-9)5-6-10(11(13)14)18(15,16)17/h1-4,10H,5-7H2,(H,13,14)(H,15,16,17)


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