[3-(4-cyanophenyl)-2-ethoxy-2-oxidanylidene-1,2$l^{5}-benzoxaphosphinin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-(4-cyanophenyl)-2-ethoxy-2-oxidanylidene-1,2$l^{5}-benzoxaphosphinin-4-yl] 4-methylbenzenesulfonate Openeye Name: [3-(4-cyanophenyl)-2-ethoxy-2-oxo-1,2$l^{5}-benzoxaphosphinin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(4-cyanophenyl)-2-ethoxy-2-oxo-1,2$l^{5}-benzoxaphosphorin-4-yl] ester IUPAC Name: [3-(4-cyanophenyl)-2-ethoxy-2-oxo-1,2$l^{5}-benzoxaphosphinin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(4-cyanophenyl)-2-ethoxy-2-keto-1,2$l^{5}-benzoxaphosphorin-4-yl] ester Formula: C24H20NO6PS MolecularWeight: 481.457461

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Descriptors Computed from Structure

Canonical SMILES:

CCOP1(=O)C(=C(C2=CC=CC=C2O1)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCOP1(=O)C(=C(C2=CC=CC=C2O1)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H20NO6PS/c1-3-29-32(26)24(19-12-10-18(16-25)11-13-19)23(21-6-4-5-7-22(21)30-32)31-33(27,28)20-14-8-17(2)9-15-20/h4-15H,3H2,1-2H3