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5-(6-methoxy-2-methyl-6-oxidanylidene-hexan-2-yl)-2-oxidanyl-benzenesulfonic acid

5-(6-methoxy-2-methyl-6-oxidanylidene-hexan-2-yl)-2-oxidanyl-benzenesulfonic acid

Systemtic Name:5-(6-methoxy-2-methyl-6-oxidanylidene-hexan-2-yl)-2-oxidanyl-benzenesulfonic acid
Openeye Name:2-hydroxy-5-(5-methoxy-1,1-dimethyl-5-oxo-pentyl)benzenesulfonic acid
CAS Name:2-hydroxy-5-(6-methoxy-2-methyl-6-oxohexan-2-yl)benzenesulfonic acid
IUPAC Name:2-hydroxy-5-(6-methoxy-2-methyl-6-oxohexan-2-yl)benzenesulfonic acid
Traditional Name:2-hydroxy-5-(5-keto-5-methoxy-1,1-dimethyl-pentyl)besylic acid
Formula: C14H20O6S
MolecularWeight: 316.37
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC(=O)OC)C1=CC(=C(C=C1)O)S(=O)(=O)O


Isomeric SMILES

CC(C)(CCCC(=O)OC)C1=CC(=C(C=C1)O)S(=O)(=O)O


InChI

InChI=1S/C14H20O6S/c1-14(2,8-4-5-13(16)20-3)10-6-7-11(15)12(9-10)21(17,18)19/h6-7,9,15H,4-5,8H2,1-3H3,(H,17,18,19)


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