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4-(3-methoxyphenyl)sulfanyl-3-nitro-benzoic acid

4-(3-methoxyphenyl)sulfanyl-3-nitro-benzoic acid

Systemtic Name:4-(3-methoxyphenyl)sulfanyl-3-nitro-benzoic acid
Openeye Name:4-(3-methoxyphenyl)sulfanyl-3-nitro-benzoic acid
CAS Name:4-[(3-methoxyphenyl)thio]-3-nitrobenzoic acid
IUPAC Name:4-(3-methoxyphenyl)sulfanyl-3-nitrobenzoic acid
Traditional Name:4-[(3-methoxyphenyl)thio]-3-nitro-benzoic acid
Formula: C14H11NO5S
MolecularWeight: 305.30584
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

COC1=CC(=CC=C1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C14H11NO5S/c1-20-10-3-2-4-11(8-10)21-13-6-5-9(14(16)17)7-12(13)15(18)19/h2-8H,1H3,(H,16,17)


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