3-ethylsulfanyl-5-nitro-phthalic acid

Systemtic Name: 3-ethylsulfanyl-5-nitro-phthalic acid Openeye Name: 3-ethylsulfanyl-5-nitro-phthalic acid CAS Name: 3-(ethylthio)-5-nitrophthalic acid IUPAC Name: 3-ethylsulfanyl-5-nitrophthalic acid Traditional Name: 3-(ethylthio)-5-nitro-phthalic acid Formula: C10H9NO6S MolecularWeight: 271.24656

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

CCSC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C10H9NO6S/c1-2-18-7-4-5(11(16)17)3-6(9(12)13)8(7)10(14)15/h3-4H,2H2,1H3,(H,12,13)(H,14,15)