4-(2-methyl-4,5-dinitro-phenoxy)butane-1-sulfonic acid

Systemtic Name: 4-(2-methyl-4,5-dinitro-phenoxy)butane-1-sulfonic acid Openeye Name: 4-(2-methyl-4,5-dinitro-phenoxy)butane-1-sulfonic acid CAS Name: 4-(2-methyl-4,5-dinitrophenoxy)-1-butanesulfonic acid IUPAC Name: 4-(2-methyl-4,5-dinitrophenoxy)butane-1-sulfonic acid Traditional Name: 4-(2-methyl-4,5-dinitro-phenoxy)butane-1-sulfonic acid Formula: C11H14N2O8S MolecularWeight: 334.30246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCCCCS(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1OCCCCS(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O8S/c1-8-6-9(12(14)15)10(13(16)17)7-11(8)21-4-2-3-5-22(18,19)20/h6-7H,2-5H2,1H3,(H,18,19,20)