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4-[(2-chlorophenyl)sulfanylmethyl]-3-nitro-benzoic acid

4-[(2-chlorophenyl)sulfanylmethyl]-3-nitro-benzoic acid

Systemtic Name:4-[(2-chlorophenyl)sulfanylmethyl]-3-nitro-benzoic acid
Openeye Name:4-[(2-chlorophenyl)sulfanylmethyl]-3-nitro-benzoic acid
CAS Name:4-[[(2-chlorophenyl)thio]methyl]-3-nitrobenzoic acid
IUPAC Name:4-[(2-chlorophenyl)sulfanylmethyl]-3-nitrobenzoic acid
Traditional Name:4-[[(2-chlorophenyl)thio]methyl]-3-nitro-benzoic acid
Formula: C14H10ClNO4S
MolecularWeight: 323.7515
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])Cl


Isomeric SMILES

C1=CC=C(C(=C1)SCC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])Cl


InChI

InChI=1S/C14H10ClNO4S/c15-11-3-1-2-4-13(11)21-8-10-6-5-9(14(17)18)7-12(10)16(19)20/h1-7H,8H2,(H,17,18)


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