2-azanyl-5-(4-azanyl-3-methyl-5-sulfo-phenyl)-3-methyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-5-(4-azanyl-3-methyl-5-sulfo-phenyl)-3-methyl-benzenesulfonic acid Openeye Name: 2-amino-5-(4-amino-3-methyl-5-sulfo-phenyl)-3-methyl-benzenesulfonic acid CAS Name: 2-amino-5-(4-amino-3-methyl-5-sulfophenyl)-3-methylbenzenesulfonic acid IUPAC Name: 2-amino-5-(4-amino-3-methyl-5-sulfophenyl)-3-methylbenzenesulfonic acid Traditional Name: 2-amino-5-(4-amino-3-methyl-5-sulfo-phenyl)-3-methyl-besylic acid Formula: C14H16N2O6S2 MolecularWeight: 372.41664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=CC(=C(C(=C2)S(=O)(=O)O)N)C)S(=O)(=O)O)N

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=CC(=C(C(=C2)S(=O)(=O)O)N)C)S(=O)(=O)O)N

InChI

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