methyl 8-oxidanyl-8-(1,10-phenanthrolin-2-yl)octanoate

Systemtic Name: methyl 8-oxidanyl-8-(1,10-phenanthrolin-2-yl)octanoate Openeye Name: methyl 8-hydroxy-8-(1,10-phenanthrolin-2-yl)octanoate CAS Name: 8-hydroxy-8-(1,10-phenanthrolin-2-yl)octanoic acid methyl ester IUPAC Name: methyl 8-hydroxy-8-(1,10-phenanthrolin-2-yl)octanoate Traditional Name: 8-hydroxy-8-(1,10-phenanthrolin-2-yl)caprylic acid methyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC(C1=NC2=C(C=CC3=C2N=CC=C3)C=C1)O

Isomeric SMILES

COC(=O)CCCCCCC(C1=NC2=C(C=CC3=C2N=CC=C3)C=C1)O

InChI

InChI=1S/C21H24N2O3/c1-26-19(25)9-5-3-2-4-8-18(24)17-13-12-16-11-10-15-7-6-14-22-20(15)21(16)23-17/h6-7,10-14,18,24H,2-5,8-9H2,1H3