3-[2-(2-hydroxyethyloxy)ethoxycarbonyl]-5-sulfo-benzoic acid

Systemtic Name: 3-[2-(2-hydroxyethyloxy)ethoxycarbonyl]-5-sulfo-benzoic acid Openeye Name: 3-[2-(2-hydroxyethoxy)ethoxycarbonyl]-5-sulfo-benzoic acid CAS Name: 3-[2-(2-hydroxyethoxy)ethoxy-oxomethyl]-5-sulfobenzoic acid IUPAC Name: 3-[2-(2-hydroxyethoxy)ethoxycarbonyl]-5-sulfobenzoic acid Traditional Name: 3-[2-(2-hydroxyethoxy)ethoxycarbonyl]-5-sulfo-benzoic acid Formula: C12H14O9S MolecularWeight: 334.29916

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)OCCOCCO)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)OCCOCCO)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C12H14O9S/c13-1-2-20-3-4-21-12(16)9-5-8(11(14)15)6-10(7-9)22(17,18)19/h5-7,13H,1-4H2,(H,14,15)(H,17,18,19)