3-(2-methyl-4,5-dinitro-phenoxy)propane-1-sulfonic acid

Systemtic Name: 3-(2-methyl-4,5-dinitro-phenoxy)propane-1-sulfonic acid Openeye Name: 3-(2-methyl-4,5-dinitro-phenoxy)propane-1-sulfonic acid CAS Name: 3-(2-methyl-4,5-dinitrophenoxy)-1-propanesulfonic acid IUPAC Name: 3-(2-methyl-4,5-dinitrophenoxy)propane-1-sulfonic acid Traditional Name: 3-(2-methyl-4,5-dinitro-phenoxy)propane-1-sulfonic acid Formula: C10H12N2O8S MolecularWeight: 320.27588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCCCS(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1OCCCS(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O8S/c1-7-5-8(11(13)14)9(12(15)16)6-10(7)20-3-2-4-21(17,18)19/h5-6H,2-4H2,1H3,(H,17,18,19)