2-oxidanyl-5-[4-(2-sulfoethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 2-oxidanyl-5-[4-(2-sulfoethyl)piperazin-1-yl]benzoic acid Openeye Name: 2-hydroxy-5-[4-(2-sulfoethyl)piperazin-1-yl]benzoic acid CAS Name: 2-hydroxy-5-[4-(2-sulfoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 2-hydroxy-5-[4-(2-sulfoethyl)piperazin-1-yl]benzoic acid Traditional Name: 2-hydroxy-5-[4-(2-sulfoethyl)piperazino]benzoic acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)O)C2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)O)C2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C13H18N2O6S/c16-12-2-1-10(9-11(12)13(17)18)15-5-3-14(4-6-15)7-8-22(19,20)21/h1-2,9,16H,3-8H2,(H,17,18)(H,19,20,21)