[7-azanyl-2-(diphenylmethyl)oxycarbonyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphanium

Systemtic Name: [7-azanyl-2-(diphenylmethyl)oxycarbonyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphanium Openeye Name: (7-amino-2-benzhydryloxycarbonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl-triphenyl-phosphonium CAS Name: [7-amino-2-[(diphenylmethyl)oxy-oxomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenylphosphonium IUPAC Name: (7-amino-2-benzhydryloxycarbonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl-triphenylphosphanium Traditional Name: (7-amino-2-benzhydryloxycarbonyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl-triphenyl-phosphonium Formula: C39H34N2O3PS+ MolecularWeight: 641.737621

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C39H34N2O3PS/c40-34-37(42)41-35(39(43)44-36(28-16-6-1-7-17-28)29-18-8-2-9-19-29)30(27-46-38(34)41)26-45(31-20-10-3-11-21-31,32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34,36,38H,26-27,40H2/q+1