4-(2-azanyl-6-methyl-phenyl)butane-1,3-disulfonic acid

Systemtic Name: 4-(2-azanyl-6-methyl-phenyl)butane-1,3-disulfonic acid Openeye Name: 4-(2-amino-6-methyl-phenyl)butane-1,3-disulfonic acid CAS Name: 4-(2-amino-6-methylphenyl)butane-1,3-disulfonic acid IUPAC Name: 4-(2-amino-6-methylphenyl)butane-1,3-disulfonic acid Traditional Name: 4-(2-amino-6-methyl-phenyl)butane-1,3-disulfonic acid Formula: C11H17NO6S2 MolecularWeight: 323.38578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N)CC(CCS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)N)CC(CCS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H17NO6S2/c1-8-3-2-4-11(12)10(8)7-9(20(16,17)18)5-6-19(13,14)15/h2-4,9H,5-7,12H2,1H3,(H,13,14,15)(H,16,17,18)