4-[2-(cyclohexylamino)-1-oxidanyl-ethyl]benzene-1,2-diol; sulfuric acid

Systemtic Name: 4-[2-(cyclohexylamino)-1-oxidanyl-ethyl]benzene-1,2-diol; sulfuric acid Openeye Name: 4-[2-(cyclohexylamino)-1-hydroxy-ethyl]benzene-1,2-diol; sulfuric acid CAS Name: 4-[2-(cyclohexylamino)-1-hydroxyethyl]benzene-1,2-diol; sulfuric acid IUPAC Name: 4-[2-(cyclohexylamino)-1-hydroxyethyl]benzene-1,2-diol; sulfuric acid Traditional Name: 4-[2-(cyclohexylamino)-1-hydroxy-ethyl]pyrocatechol; sulfuric acid Formula: C28H44N2O10S MolecularWeight: 600.72136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC(C2=CC(=C(C=C2)O)O)O.C1CCC(CC1)NCC(C2=CC(=C(C=C2)O)O)O.OS(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)NCC(C2=CC(=C(C=C2)O)O)O.C1CCC(CC1)NCC(C2=CC(=C(C=C2)O)O)O.OS(=O)(=O)O

InChI

InChI=1S/2C14H21NO3.H2O4S/c2*16-12-7-6-10(8-13(12)17)14(18)9-15-11-4-2-1-3-5-11;1-5(2,3)4/h2*6-8,11,14-18H,1-5,9H2;(H2,1,2,3,4)