4-hexan-2-yl-8-octoxy-4,7-phenanthrolin-3-one

Systemtic Name: 4-hexan-2-yl-8-octoxy-4,7-phenanthrolin-3-one Openeye Name: 4-(1-methylpentyl)-8-octoxy-4,7-phenanthrolin-3-one CAS Name: 4-hexan-2-yl-8-octoxy-4,7-phenanthrolin-3-one IUPAC Name: 4-hexan-2-yl-8-octoxy-4,7-phenanthrolin-3-one Traditional Name: 4-(1-methylpentyl)-8-octoxy-4,7-phenanthrolin-3-one Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC2=C(C=C1)C3=C(C=C2)N(C(=O)C=C3)C(C)CCCC

Isomeric SMILES

CCCCCCCCOC1=NC2=C(C=C1)C3=C(C=C2)N(C(=O)C=C3)C(C)CCCC

InChI

InChI=1S/C26H36N2O2/c1-4-6-8-9-10-11-19-30-25-17-13-21-22-14-18-26(29)28(20(3)12-7-5-2)24(22)16-15-23(21)27-25/h13-18,20H,4-12,19H2,1-3H3