3-(4-methyl-2-nitro-phenoxy)propane-1-sulfonic acid

Systemtic Name: 3-(4-methyl-2-nitro-phenoxy)propane-1-sulfonic acid Openeye Name: 3-(4-methyl-2-nitro-phenoxy)propane-1-sulfonic acid CAS Name: 3-(4-methyl-2-nitrophenoxy)-1-propanesulfonic acid IUPAC Name: 3-(4-methyl-2-nitrophenoxy)propane-1-sulfonic acid Traditional Name: 3-(4-methyl-2-nitro-phenoxy)propane-1-sulfonic acid Formula: C10H13NO6S MolecularWeight: 275.27832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCS(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCS(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H13NO6S/c1-8-3-4-10(9(7-8)11(12)13)17-5-2-6-18(14,15)16/h3-4,7H,2,5-6H2,1H3,(H,14,15,16)