ethane-1,2-diamine; 1-(4-methyl-2-oxidanyl-phenyl)dodecan-1-one

Systemtic Name: ethane-1,2-diamine; 1-(4-methyl-2-oxidanyl-phenyl)dodecan-1-one Openeye Name: ethane-1,2-diamine; 1-(2-hydroxy-4-methyl-phenyl)dodecan-1-one CAS Name: ethane-1,2-diamine; 1-(2-hydroxy-4-methylphenyl)-1-dodecanone IUPAC Name: ethane-1,2-diamine; 1-(2-hydroxy-4-methylphenyl)dodecan-1-one Traditional Name: 2-aminoethylamine; 1-(2-hydroxy-4-methyl-phenyl)dodecan-1-one Formula: C40H68N2O4 MolecularWeight: 640.97892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(C=C(C=C1)C)O.CCCCCCCCCCCC(=O)C1=C(C=C(C=C1)C)O.C(CN)N

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(C=C(C=C1)C)O.CCCCCCCCCCCC(=O)C1=C(C=C(C=C1)C)O.C(CN)N

InChI

InChI=1S/2C19H30O2.C2H8N2/c2*1-3-4-5-6-7-8-9-10-11-12-18(20)17-14-13-16(2)15-19(17)21;3-1-2-4/h2*13-15,21H,3-12H2,1-2H3;1-4H2