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3-[5-[(1S,2R)-2-nitro-1-sulfanyl-pentyl]furan-2-yl]benzoic acid

3-[5-[(1S,2R)-2-nitro-1-sulfanyl-pentyl]furan-2-yl]benzoic acid

Systemtic Name:3-[5-[(1S,2R)-2-nitro-1-sulfanyl-pentyl]furan-2-yl]benzoic acid
Openeye Name:3-[5-[(1S,2R)-2-nitro-1-sulfanyl-pentyl]-2-furyl]benzoic acid
CAS Name:3-[5-[(1S,2R)-1-mercapto-2-nitropentyl]-2-furanyl]benzoic acid
IUPAC Name:3-[5-[(1S,2R)-2-nitro-1-sulfanylpentyl]furan-2-yl]benzoic acid
Traditional Name:3-[5-[(1S,2R)-1-mercapto-2-nitro-pentyl]-2-furyl]benzoic acid
Formula: C16H17NO5S
MolecularWeight: 335.37488
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CC=C(O1)C2=CC(=CC=C2)C(=O)O)S)[N+](=O)[O-]


Isomeric SMILES

CCC[C@H]([C@@H](C1=CC=C(O1)C2=CC(=CC=C2)C(=O)O)S)[N+](=O)[O-]


InChI

InChI=1S/C16H17NO5S/c1-2-4-12(17(20)21)15(23)14-8-7-13(22-14)10-5-3-6-11(9-10)16(18)19/h3,5-9,12,15,23H,2,4H2,1H3,(H,18,19)/t12-,15+/m1/s1


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