[[1-benzothiophen-2-ylsulfonyl(methyl)amino]-oxidanyl-methyl]-(4-nitrophenoxy)-oxidanylidene-phosphanium

Systemtic Name: [[1-benzothiophen-2-ylsulfonyl(methyl)amino]-oxidanyl-methyl]-(4-nitrophenoxy)-oxidanylidene-phosphanium Openeye Name: [[benzothiophen-2-ylsulfonyl(methyl)amino]-hydroxy-methyl]-(4-nitrophenoxy)-oxo-phosphonium CAS Name: [[1-benzothiophen-2-ylsulfonyl(methyl)amino]-hydroxymethyl]-(4-nitrophenoxy)-oxophosphonium IUPAC Name: [[1-benzothiophen-2-ylsulfonyl(methyl)amino]-hydroxymethyl]-(4-nitrophenoxy)-oxophosphanium Traditional Name: [[benzothiophen-2-ylsulfonyl(methyl)amino]-hydroxy-methyl]-keto-(4-nitrophenoxy)phosphonium Formula: C16H14N2O7PS2+ MolecularWeight: 441.395321

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(O)[P+](=O)OC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CN(C(O)[P+](=O)OC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C16H14N2O7PS2/c1-17(28(23,24)15-10-11-4-2-3-5-14(11)27-15)16(19)26(22)25-13-8-6-12(7-9-13)18(20)21/h2-10,16,19H,1H3/q+1