(2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl-triphenyl-phosphanium

Systemtic Name: (2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl-triphenyl-phosphanium Openeye Name: (2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl-triphenyl-phosphonium CAS Name: (2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl-triphenylphosphonium IUPAC Name: (2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl-triphenylphosphanium Traditional Name: (2-keto-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl-triphenyl-phosphonium Formula: C26H27NOPS+ MolecularWeight: 432.537441

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)N(C(=O)S2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2C(C1)N(C(=O)S2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H27NOPS/c28-26-27(24-18-10-11-19-25(24)30-26)20-29(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,24-25H,10-11,18-20H2/q+1