5-[2-(2-methylpentan-2-ylamino)-1-oxidanyl-ethyl]benzene-1,3-diol; sulfuric acid

Systemtic Name: 5-[2-(2-methylpentan-2-ylamino)-1-oxidanyl-ethyl]benzene-1,3-diol; sulfuric acid Openeye Name: 5-[2-(1,1-dimethylbutylamino)-1-hydroxy-ethyl]benzene-1,3-diol; sulfuric acid CAS Name: 5-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,3-diol; sulfuric acid IUPAC Name: 5-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,3-diol; sulfuric acid Traditional Name: 5-[2-(1,1-dimethylbutylamino)-1-hydroxy-ethyl]resorcinol; sulfuric acid Formula: C28H48N2O10S MolecularWeight: 604.75312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.CCCC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O

Isomeric SMILES

CCCC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.CCCC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O

InChI

InChI=1S/2C14H23NO3.H2O4S/c2*1-4-5-14(2,3)15-9-13(18)10-6-11(16)8-12(17)7-10;1-5(2,3)4/h2*6-8,13,15-18H,4-5,9H2,1-3H3;(H2,1,2,3,4)