1,4,7,10,13,16-hexaoxacyclooctadecane; 3-nitrophenol; dihydrate

Systemtic Name: 1,4,7,10,13,16-hexaoxacyclooctadecane; 3-nitrophenol; dihydrate Openeye Name: 1,4,7,10,13,16-hexaoxacyclooctadecane; 3-nitrophenol; dihydrate CAS Name: 1,4,7,10,13,16-hexaoxacyclooctadecane; 3-nitrophenol; dihydrate IUPAC Name: 1,4,7,10,13,16-hexaoxacyclooctadecane; 3-nitrophenol; dihydrate Traditional Name: 18-crown-6; 3-nitrophenol; dihydrate Formula: C24H38N2O14 MolecularWeight: 578.56352

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCOCCOCCOCCO1.C1=CC(=CC(=C1)O)[N+](=O)[O-].C1=CC(=CC(=C1)O)[N+](=O)[O-].O.O

Isomeric SMILES

C1COCCOCCOCCOCCOCCO1.C1=CC(=CC(=C1)O)[N+](=O)[O-].C1=CC(=CC(=C1)O)[N+](=O)[O-].O.O

InChI

InChI=1S/C12H24O6.2C6H5NO3.2H2O/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*8-6-3-1-2-5(4-6)7(9)10;;/h1-12H2;2*1-4,8H;2*1H2