3-azanyl-6-(4-azanyl-3-methyl-2-sulfo-phenyl)-2-methyl-benzenesulfonic acid

Systemtic Name: 3-azanyl-6-(4-azanyl-3-methyl-2-sulfo-phenyl)-2-methyl-benzenesulfonic acid Openeye Name: 3-amino-6-(4-amino-3-methyl-2-sulfo-phenyl)-2-methyl-benzenesulfonic acid CAS Name: 3-amino-6-(4-amino-3-methyl-2-sulfophenyl)-2-methylbenzenesulfonic acid IUPAC Name: 3-amino-6-(4-amino-3-methyl-2-sulfophenyl)-2-methylbenzenesulfonic acid Traditional Name: 3-amino-6-(4-amino-3-methyl-2-sulfo-phenyl)-2-methyl-besylic acid Formula: C14H16N2O6S2 MolecularWeight: 372.41664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1S(=O)(=O)O)C2=C(C(=C(C=C2)N)C)S(=O)(=O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1S(=O)(=O)O)C2=C(C(=C(C=C2)N)C)S(=O)(=O)O)N

InChI

InChI=1S/C14H16N2O6S2/c1-7-11(15)5-3-9(13(7)23(17,18)19)10-4-6-12(16)8(2)14(10)24(20,21)22/h3-6H,15-16H2,1-2H3,(H,17,18,19)(H,20,21,22)