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4-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-nitro-benzoic acid

4-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-nitro-benzoic acid

Systemtic Name:4-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-nitro-benzoic acid
Openeye Name:4-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-nitro-benzoic acid
CAS Name:4-[(1,3-benzothiazol-2-ylthio)methyl]-3-nitrobenzoic acid
IUPAC Name:4-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-nitrobenzoic acid
Traditional Name:4-[(1,3-benzothiazol-2-ylthio)methyl]-3-nitro-benzoic acid
Formula: C15H10N2O4S2
MolecularWeight: 346.3809
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C15H10N2O4S2/c18-14(19)9-5-6-10(12(7-9)17(20)21)8-22-15-16-11-3-1-2-4-13(11)23-15/h1-7H,8H2,(H,18,19)


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