2-nitro-5-propan-2-ylsulfanyl-benzoic acid

Systemtic Name: 2-nitro-5-propan-2-ylsulfanyl-benzoic acid Openeye Name: 5-isopropylsulfanyl-2-nitro-benzoic acid CAS Name: 2-nitro-5-(propan-2-ylthio)benzoic acid IUPAC Name: 2-nitro-5-propan-2-ylsulfanylbenzoic acid Traditional Name: 5-(isopropylthio)-2-nitro-benzoic acid Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)SC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H11NO4S/c1-6(2)16-7-3-4-9(11(14)15)8(5-7)10(12)13/h3-6H,1-2H3,(H,12,13)