2-[bis(2-hydroxyethyl)amino]ethanol; 2-hexyl-5-(8-oxidanyl-8-oxidanylidene-octyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-hexyl-5-(8-oxidanyl-8-oxidanylidene-octyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-hexyl-5-(8-hydroxy-8-oxo-octyl)cyclohex-3-ene-1-carboxylic acid CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-hexyl-5-(8-hydroxy-8-oxooctyl)-1-cyclohex-3-enecarboxylic acid IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-hexyl-5-(8-hydroxy-8-oxooctyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-hexyl-5-(8-hydroxy-8-keto-octyl)cyclohex-3-ene-1-carboxylic acid Formula: C27H51NO7 MolecularWeight: 501.69634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O.C(CO)N(CCO)CCO

Isomeric SMILES

CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O.C(CO)N(CCO)CCO

InChI

InChI=1S/C21H36O4.C6H15NO3/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;8-4-1-7(2-5-9)3-6-10/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);8-10H,1-6H2