2-methoxy-5-nitro-4-propyl-benzenecarbothioic S-acid

Systemtic Name: 2-methoxy-5-nitro-4-propyl-benzenecarbothioic S-acid Openeye Name: 2-methoxy-5-nitro-4-propyl-benzenecarbothioic S-acid CAS Name: 2-methoxy-5-nitro-4-propylbenzenecarbothioic S-acid IUPAC Name: 2-methoxy-5-nitro-4-propylbenzenecarbothioic S-acid Traditional Name: 2-methoxy-5-nitro-4-propyl-thiobenzoic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)OC)C(=O)S)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=C(C(=C1)OC)C(=O)S)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO4S/c1-3-4-7-5-10(16-2)8(11(13)17)6-9(7)12(14)15/h5-6H,3-4H2,1-2H3,(H,13,17)