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4-[(2,3-dimethoxyphenyl)methylsulfanyl]-3-nitro-benzoic acid

4-[(2,3-dimethoxyphenyl)methylsulfanyl]-3-nitro-benzoic acid

Systemtic Name:4-[(2,3-dimethoxyphenyl)methylsulfanyl]-3-nitro-benzoic acid
Openeye Name:4-[(2,3-dimethoxyphenyl)methylsulfanyl]-3-nitro-benzoic acid
CAS Name:4-[(2,3-dimethoxyphenyl)methylthio]-3-nitrobenzoic acid
IUPAC Name:4-[(2,3-dimethoxyphenyl)methylsulfanyl]-3-nitrobenzoic acid
Traditional Name:3-nitro-4-(o-veratrylthio)benzoic acid
Formula: C16H15NO6S
MolecularWeight: 349.3584
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CSC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

COC1=CC=CC(=C1OC)CSC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C16H15NO6S/c1-22-13-5-3-4-11(15(13)23-2)9-24-14-7-6-10(16(18)19)8-12(14)17(20)21/h3-8H,9H2,1-2H3,(H,18,19)


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