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3-propoxycarbonyl-5-sulfo-benzoic acid

3-propoxycarbonyl-5-sulfo-benzoic acid

Systemtic Name:3-propoxycarbonyl-5-sulfo-benzoic acid
Openeye Name:3-propoxycarbonyl-5-sulfo-benzoic acid
CAS Name:3-[oxo(propoxy)methyl]-5-sulfobenzoic acid
IUPAC Name:3-propoxycarbonyl-5-sulfobenzoic acid
Traditional Name:3-propoxycarbonyl-5-sulfo-benzoic acid
Formula: C11H12O7S
MolecularWeight: 288.27378
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C11H12O7S/c1-2-3-18-11(14)8-4-7(10(12)13)5-9(6-8)19(15,16)17/h4-6H,2-3H2,1H3,(H,12,13)(H,15,16,17)


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