[6-(4-bromanyl-2-methyl-phenyl)-3,4-diethyl-2-(4-methylpentyl)quinolin-8-yl]phosphonic acid

Systemtic Name: [6-(4-bromanyl-2-methyl-phenyl)-3,4-diethyl-2-(4-methylpentyl)quinolin-8-yl]phosphonic acid Openeye Name: [6-(4-bromo-2-methyl-phenyl)-3,4-diethyl-2-isohexyl-8-quinolyl]phosphonic acid CAS Name: [6-(4-bromo-2-methylphenyl)-3,4-diethyl-2-(4-methylpentyl)-8-quinolinyl]phosphonic acid IUPAC Name: [6-(4-bromo-2-methylphenyl)-3,4-diethyl-2-(4-methylpentyl)quinolin-8-yl]phosphonic acid Traditional Name: [6-(4-bromo-2-methyl-phenyl)-3,4-diethyl-2-isohexyl-8-quinolyl]phosphonic acid Formula: C26H33BrNO3P MolecularWeight: 518.422881

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=C(C=C(C=C12)C3=C(C=C(C=C3)Br)C)P(=O)(O)O)CCCC(C)C)CC

Isomeric SMILES

CCC1=C(C(=NC2=C(C=C(C=C12)C3=C(C=C(C=C3)Br)C)P(=O)(O)O)CCCC(C)C)CC

InChI

InChI=1S/C26H33BrNO3P/c1-6-20-21(7-2)24(10-8-9-16(3)4)28-26-23(20)14-18(15-25(26)32(29,30)31)22-12-11-19(27)13-17(22)5/h11-16H,6-10H2,1-5H3,(H2,29,30,31)