[(4-tert-butyl-2-nitro-phenoxy)-(propan-2-ylamino)phosphoryl]sulfanylphosphonamidic acid; ethane

Systemtic Name: [(4-tert-butyl-2-nitro-phenoxy)-(propan-2-ylamino)phosphoryl]sulfanylphosphonamidic acid; ethane Openeye Name: [(4-tert-butyl-2-nitro-phenoxy)-(isopropylamino)phosphoryl]sulfanylphosphonamidic acid; ethane CAS Name: [[(4-tert-butyl-2-nitrophenoxy)-(propan-2-ylamino)phosphoryl]thio]phosphonamidic acid; ethane IUPAC Name: [(4-tert-butyl-2-nitrophenoxy)-(propan-2-ylamino)phosphoryl]sulfanylphosphonamidic acid; ethane Traditional Name: [[(4-tert-butyl-2-nitro-phenoxy)-(isopropylamino)phosphoryl]thio]phosphonamidic acid; ethane Formula: C15H29N3O6P2S MolecularWeight: 441.419782

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC(C)NP(=O)(OC1=C(C=C(C=C1)C(C)(C)C)[N+](=O)[O-])SP(=O)(N)O

Isomeric SMILES

CC.CC(C)NP(=O)(OC1=C(C=C(C=C1)C(C)(C)C)[N+](=O)[O-])SP(=O)(N)O

InChI

InChI=1S/C13H23N3O6P2S.C2H6/c1-9(2)15-24(21,25-23(14,19)20)22-12-7-6-10(13(3,4)5)8-11(12)16(17)18;1-2/h6-9H,1-5H3,(H,15,21)(H3,14,19,20);1-2H3