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4-methyl-2-(3-nitrophenyl)benzenesulfonic acid

4-methyl-2-(3-nitrophenyl)benzenesulfonic acid

Systemtic Name:4-methyl-2-(3-nitrophenyl)benzenesulfonic acid
Openeye Name:4-methyl-2-(3-nitrophenyl)benzenesulfonic acid
CAS Name:4-methyl-2-(3-nitrophenyl)benzenesulfonic acid
IUPAC Name:4-methyl-2-(3-nitrophenyl)benzenesulfonic acid
Traditional Name:4-methyl-2-(3-nitrophenyl)besylic acid
Formula: C13H11NO5S
MolecularWeight: 293.29514
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]


Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]


InChI

InChI=1S/C13H11NO5S/c1-9-5-6-13(20(17,18)19)12(7-9)10-3-2-4-11(8-10)14(15)16/h2-8H,1H3,(H,17,18,19)


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