19-(3-methylphenyl)-12,26-bis(oxidanyl)heptatriacontanediamide

Systemtic Name: 19-(3-methylphenyl)-12,26-bis(oxidanyl)heptatriacontanediamide Openeye Name: 12,26-dihydroxy-19-(m-tolyl)heptatriacontanediamide CAS Name: 12,26-dihydroxy-19-(3-methylphenyl)heptatriacontanediamide IUPAC Name: 12,26-dihydroxy-19-(3-methylphenyl)heptatriacontanediamide Traditional Name: 12,26-dihydroxy-19-(m-tolyl)heptatriacontanediamide Formula: C44H80N2O4 MolecularWeight: 701.117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CCCCCCC(CCCCCCCCCCC(=O)N)O)CCCCCCC(CCCCCCCCCCC(=O)N)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CCCCCCC(CCCCCCCCCCC(=O)N)O)CCCCCCC(CCCCCCCCCCC(=O)N)O

InChI

InChI=1S/C44H80N2O4/c1-38-27-26-30-40(37-38)39(28-18-14-16-22-33-41(47)31-20-10-6-2-4-8-12-24-35-43(45)49)29-19-15-17-23-34-42(48)32-21-11-7-3-5-9-13-25-36-44(46)50/h26-27,30,37,39,41-42,47-48H,2-25,28-29,31-36H2,1H3,(H2,45,49)(H2,46,50)