3-decylsulfanyl-5-nitro-phthalic acid

Systemtic Name: 3-decylsulfanyl-5-nitro-phthalic acid Openeye Name: 3-decylsulfanyl-5-nitro-phthalic acid CAS Name: 3-(decylthio)-5-nitrophthalic acid IUPAC Name: 3-decylsulfanyl-5-nitrophthalic acid Traditional Name: 3-(decylthio)-5-nitro-phthalic acid Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCSC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C18H25NO6S/c1-2-3-4-5-6-7-8-9-10-26-15-12-13(19(24)25)11-14(17(20)21)16(15)18(22)23/h11-12H,2-10H2,1H3,(H,20,21)(H,22,23)