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2-oxidanyl-5-[4-(2-oxidanyl-3-sulfo-propyl)piperazin-1-yl]benzoic acid

2-oxidanyl-5-[4-(2-oxidanyl-3-sulfo-propyl)piperazin-1-yl]benzoic acid

Systemtic Name:2-oxidanyl-5-[4-(2-oxidanyl-3-sulfo-propyl)piperazin-1-yl]benzoic acid
Openeye Name:2-hydroxy-5-[4-(2-hydroxy-3-sulfo-propyl)piperazin-1-yl]benzoic acid
CAS Name:2-hydroxy-5-[4-(2-hydroxy-3-sulfopropyl)-1-piperazinyl]benzoic acid
IUPAC Name:2-hydroxy-5-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]benzoic acid
Traditional Name:2-hydroxy-5-[4-(2-hydroxy-3-sulfo-propyl)piperazino]benzoic acid
Formula: C14H20N2O7S
MolecularWeight: 360.3828
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CS(=O)(=O)O)O)C2=CC(=C(C=C2)O)C(=O)O


Isomeric SMILES

C1CN(CCN1CC(CS(=O)(=O)O)O)C2=CC(=C(C=C2)O)C(=O)O


InChI

InChI=1S/C14H20N2O7S/c17-11(9-24(21,22)23)8-15-3-5-16(6-4-15)10-1-2-13(18)12(7-10)14(19)20/h1-2,7,11,17-18H,3-6,8-9H2,(H,19,20)(H,21,22,23)


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