3-[(2-nitroso-3-oxidanyl-5-propyl-phenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(2-nitroso-3-oxidanyl-5-propyl-phenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(3-hydroxy-2-nitroso-5-propyl-anilino)propane-1-sulfonic acid CAS Name: 3-(3-hydroxy-2-nitroso-5-propylanilino)-1-propanesulfonic acid IUPAC Name: 3-(3-hydroxy-2-nitroso-5-propylanilino)propane-1-sulfonic acid Traditional Name: 3-(3-hydroxy-2-nitroso-5-propyl-anilino)propane-1-sulfonic acid Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1)O)N=O)NCCCS(=O)(=O)O

Isomeric SMILES

CCCC1=CC(=C(C(=C1)O)N=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C12H18N2O5S/c1-2-4-9-7-10(12(14-16)11(15)8-9)13-5-3-6-20(17,18)19/h7-8,13,15H,2-6H2,1H3,(H,17,18,19)