3-nitro-4-phenyl-5-propyl-benzenecarbothioic S-acid

Systemtic Name: 3-nitro-4-phenyl-5-propyl-benzenecarbothioic S-acid Openeye Name: 3-nitro-4-phenyl-5-propyl-benzenecarbothioic S-acid CAS Name: 3-nitro-4-phenyl-5-propylbenzenecarbothioic S-acid IUPAC Name: 3-nitro-4-phenyl-5-propylbenzenecarbothioic S-acid Traditional Name: 3-nitro-4-phenyl-5-propyl-thiobenzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)C(=O)S)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCCC1=C(C(=CC(=C1)C(=O)S)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C16H15NO3S/c1-2-6-12-9-13(16(18)21)10-14(17(19)20)15(12)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H,18,21)