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3-(3,3-dimethylbutan-2-yloxycarbonyl)-5-sulfo-benzoic acid

3-(3,3-dimethylbutan-2-yloxycarbonyl)-5-sulfo-benzoic acid

Systemtic Name:3-(3,3-dimethylbutan-2-yloxycarbonyl)-5-sulfo-benzoic acid
Openeye Name:3-sulfo-5-(1,2,2-trimethylpropoxycarbonyl)benzoic acid
CAS Name:3-[3,3-dimethylbutan-2-yloxy(oxo)methyl]-5-sulfobenzoic acid
IUPAC Name:3-(3,3-dimethylbutan-2-yloxycarbonyl)-5-sulfobenzoic acid
Traditional Name:3-sulfo-5-(1,2,2-trimethylpropoxycarbonyl)benzoic acid
Formula: C14H18O7S
MolecularWeight: 330.35352
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H18O7S/c1-8(14(2,3)4)21-13(17)10-5-9(12(15)16)6-11(7-10)22(18,19)20/h5-8H,1-4H3,(H,15,16)(H,18,19,20)


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