5-nitro-3-phenylsulfanyl-phthalic acid

Systemtic Name: 5-nitro-3-phenylsulfanyl-phthalic acid Openeye Name: 5-nitro-3-phenylsulfanyl-phthalic acid CAS Name: 5-nitro-3-(phenylthio)phthalic acid IUPAC Name: 5-nitro-3-phenylsulfanylphthalic acid Traditional Name: 5-nitro-3-(phenylthio)phthalic acid Formula: C14H9NO6S MolecularWeight: 319.28936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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