[(2,3-dibutoxyquinoxalin-6-yl)-diethoxy-methyl]phosphonic acid

Systemtic Name: [(2,3-dibutoxyquinoxalin-6-yl)-diethoxy-methyl]phosphonic acid Openeye Name: [(2,3-dibutoxyquinoxalin-6-yl)-diethoxy-methyl]phosphonic acid CAS Name: [(2,3-dibutoxy-6-quinoxalinyl)-diethoxymethyl]phosphonic acid IUPAC Name: [(2,3-dibutoxyquinoxalin-6-yl)-diethoxymethyl]phosphonic acid Traditional Name: [(2,3-dibutoxyquinoxalin-6-yl)-diethoxy-methyl]phosphonic acid Formula: C21H33N2O7P MolecularWeight: 456.469681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C=C(C=C2)C(OCC)(OCC)P(=O)(O)O)N=C1OCCCC

Isomeric SMILES

CCCCOC1=NC2=C(C=C(C=C2)C(OCC)(OCC)P(=O)(O)O)N=C1OCCCC

InChI

InChI=1S/C21H33N2O7P/c1-5-9-13-27-19-20(28-14-10-6-2)23-18-15-16(11-12-17(18)22-19)21(29-7-3,30-8-4)31(24,25)26/h11-12,15H,5-10,13-14H2,1-4H3,(H2,24,25,26)