2-methylbenzene-1,4-diamine; sulfuric acid

Systemtic Name: 2-methylbenzene-1,4-diamine; sulfuric acid Openeye Name: 2-methylbenzene-1,4-diamine; sulfuric acid CAS Name: 2-methylbenzene-1,4-diamine; sulfuric acid IUPAC Name: 2-methylbenzene-1,4-diamine; sulfuric acid Traditional Name: (4-amino-2-methyl-phenyl)amine; sulfuric acid Formula: C35H60N10O20S5 MolecularWeight: 1101.2309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/5C7H10N2.5H2O4S/c5*1-5-4-6(8)2-3-7(5)9;5*1-5(2,3)4/h5*2-4H,8-9H2,1H3;5*(H2,1,2,3,4)