3-butylsulfanyl-5-nitro-phthalic acid

Systemtic Name: 3-butylsulfanyl-5-nitro-phthalic acid Openeye Name: 3-butylsulfanyl-5-nitro-phthalic acid CAS Name: 3-(butylthio)-5-nitrophthalic acid IUPAC Name: 3-butylsulfanyl-5-nitrophthalic acid Traditional Name: 3-(butylthio)-5-nitro-phthalic acid Formula: C12H13NO6S MolecularWeight: 299.29972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

CCCCSC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO6S/c1-2-3-4-20-9-6-7(13(18)19)5-8(11(14)15)10(9)12(16)17/h5-6H,2-4H2,1H3,(H,14,15)(H,16,17)