3-(4-nitrophenyl)sulfanylphthalic acid

Systemtic Name: 3-(4-nitrophenyl)sulfanylphthalic acid Openeye Name: 3-(4-nitrophenyl)sulfanylphthalic acid CAS Name: 3-[(4-nitrophenyl)thio]phthalic acid IUPAC Name: 3-(4-nitrophenyl)sulfanylphthalic acid Traditional Name: 3-[(4-nitrophenyl)thio]phthalic acid Formula: C14H9NO6S MolecularWeight: 319.28936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)SC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)SC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C14H9NO6S/c16-13(17)10-2-1-3-11(12(10)14(18)19)22-9-6-4-8(5-7-9)15(20)21/h1-7H,(H,16,17)(H,18,19)