3-(ethylamino)-4-methyl-phenol; sulfuric acid

Systemtic Name: 3-(ethylamino)-4-methyl-phenol; sulfuric acid Openeye Name: 3-(ethylamino)-4-methyl-phenol; sulfuric acid CAS Name: 3-(ethylamino)-4-methylphenol; sulfuric acid IUPAC Name: 3-(ethylamino)-4-methylphenol; sulfuric acid Traditional Name: 3-(ethylamino)-4-methyl-phenol; sulfuric acid Formula: C18H28N2O6S MolecularWeight: 400.48972

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)O)C.CCNC1=C(C=CC(=C1)O)C.OS(=O)(=O)O

Isomeric SMILES

CCNC1=C(C=CC(=C1)O)C.CCNC1=C(C=CC(=C1)O)C.OS(=O)(=O)O

InChI

InChI=1S/2C9H13NO.H2O4S/c2*1-3-10-9-6-8(11)5-4-7(9)2;1-5(2,3)4/h2*4-6,10-11H,3H2,1-2H3;(H2,1,2,3,4)