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4-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoic acid

4-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoic acid

Systemtic Name:4-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoic acid
Openeye Name:4-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzoic acid
CAS Name:4-[[2-(diethylamino)-2-oxoethyl]thio]-3-nitrobenzoic acid
IUPAC Name:4-[2-(diethylamino)-2-oxoethyl]sulfanyl-3-nitrobenzoic acid
Traditional Name:4-[[2-(diethylamino)-2-keto-ethyl]thio]-3-nitro-benzoic acid
Formula: C13H16N2O5S
MolecularWeight: 312.34154
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

CCN(CC)C(=O)CSC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C13H16N2O5S/c1-3-14(4-2)12(16)8-21-11-6-5-9(13(17)18)7-10(11)15(19)20/h5-7H,3-4,8H2,1-2H3,(H,17,18)


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