2-azanyl-2-methyl-propan-1-ol; 2-hexyl-5-(8-oxidanyl-8-oxidanylidene-octyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 2-azanyl-2-methyl-propan-1-ol; 2-hexyl-5-(8-oxidanyl-8-oxidanylidene-octyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: 2-amino-2-methyl-propan-1-ol; 2-hexyl-5-(8-hydroxy-8-oxo-octyl)cyclohex-3-ene-1-carboxylic acid CAS Name: 2-amino-2-methyl-1-propanol; 2-hexyl-5-(8-hydroxy-8-oxooctyl)-1-cyclohex-3-enecarboxylic acid IUPAC Name: 2-amino-2-methylpropan-1-ol; 2-hexyl-5-(8-hydroxy-8-oxooctyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: 2-amino-2-methyl-propan-1-ol; 2-hexyl-5-(8-hydroxy-8-keto-octyl)cyclohex-3-ene-1-carboxylic acid Formula: C25H47NO5 MolecularWeight: 441.64438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36O4.C4H11NO/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;1-4(2,5)3-6/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);6H,3,5H2,1-2H3