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2-oxidanylidene-2-(3-phenylbutoxy)ethanesulfonic acid

2-oxidanylidene-2-(3-phenylbutoxy)ethanesulfonic acid

Systemtic Name:2-oxidanylidene-2-(3-phenylbutoxy)ethanesulfonic acid
Openeye Name:2-oxo-2-(3-phenylbutoxy)ethanesulfonic acid
CAS Name:2-oxo-2-(3-phenylbutoxy)ethanesulfonic acid
IUPAC Name:2-oxo-2-(3-phenylbutoxy)ethanesulfonic acid
Traditional Name:2-keto-2-(3-phenylbutoxy)ethanesulfonic acid
Formula: C12H16O5S
MolecularWeight: 272.31744
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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)CS(=O)(=O)O)C1=CC=CC=C1


Isomeric SMILES

CC(CCOC(=O)CS(=O)(=O)O)C1=CC=CC=C1


InChI

InChI=1S/C12H16O5S/c1-10(11-5-3-2-4-6-11)7-8-17-12(13)9-18(14,15)16/h2-6,10H,7-9H2,1H3,(H,14,15,16)


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