butane; oxidanidyl-oxidanylidene-(pyren-1-ylmethoxy)phosphanium

Systemtic Name: butane; oxidanidyl-oxidanylidene-(pyren-1-ylmethoxy)phosphanium Openeye Name: butane; oxido-oxo-(pyren-1-ylmethoxy)phosphonium CAS Name: butane; oxido-oxo-(1-pyrenylmethoxy)phosphonium IUPAC Name: butane; oxido-oxo-(pyren-1-ylmethoxy)phosphanium Traditional Name: keto-oxido-(pyren-1-ylmethoxy)phosphonium; n-butane Formula: C21H21O3P MolecularWeight: 352.363401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CO[P+](=O)[O-]

Isomeric SMILES

CCCC.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CO[P+](=O)[O-]

InChI

InChI=1S/C17H11O3P.C4H10/c18-21(19)20-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12;1-3-4-2/h1-9H,10H2;3-4H2,1-2H3