2-[(4-azanyl-3-methyl-phenyl)amino]ethanol; sulfuric acid

Systemtic Name: 2-[(4-azanyl-3-methyl-phenyl)amino]ethanol; sulfuric acid Openeye Name: 2-(4-amino-3-methyl-anilino)ethanol; sulfuric acid CAS Name: 2-(4-amino-3-methylanilino)ethanol; sulfuric acid IUPAC Name: 2-(4-amino-3-methylanilino)ethanol; sulfuric acid Traditional Name: 2-(4-amino-3-methyl-anilino)ethanol; sulfuric acid Formula: C99H156N22O15S MolecularWeight: 1926.50134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.OS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.CC1=C(C=CC(=C1)NCCO)N.OS(=O)(=O)O

InChI

InChI=1S/11C9H14N2O.H2O4S/c11*1-7-6-8(11-4-5-12)2-3-9(7)10;1-5(2,3)4/h11*2-3,6,11-12H,4-5,10H2,1H3;(H2,1,2,3,4)