4-(3,4-dinitrophenoxy)butane-1-sulfonic acid

Systemtic Name: 4-(3,4-dinitrophenoxy)butane-1-sulfonic acid Openeye Name: 4-(3,4-dinitrophenoxy)butane-1-sulfonic acid CAS Name: 4-(3,4-dinitrophenoxy)-1-butanesulfonic acid IUPAC Name: 4-(3,4-dinitrophenoxy)butane-1-sulfonic acid Traditional Name: 4-(3,4-dinitrophenoxy)butane-1-sulfonic acid Formula: C10H12N2O8S MolecularWeight: 320.27588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OCCCCS(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1OCCCCS(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O8S/c13-11(14)9-4-3-8(7-10(9)12(15)16)20-5-1-2-6-21(17,18)19/h3-4,7H,1-2,5-6H2,(H,17,18,19)