5-azanyl-2-[2-(4-azanyl-2-sulfo-phenyl)propan-2-yl]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[2-(4-azanyl-2-sulfo-phenyl)propan-2-yl]benzenesulfonic acid Openeye Name: 5-amino-2-[1-(4-amino-2-sulfo-phenyl)-1-methyl-ethyl]benzenesulfonic acid CAS Name: 5-amino-2-[2-(4-amino-2-sulfophenyl)propan-2-yl]benzenesulfonic acid IUPAC Name: 5-amino-2-[2-(4-amino-2-sulfophenyl)propan-2-yl]benzenesulfonic acid Traditional Name: 5-amino-2-[1-(4-amino-2-sulfo-phenyl)-1-methyl-ethyl]besylic acid Formula: C15H18N2O6S2 MolecularWeight: 386.44322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O6S2/c1-15(2,11-5-3-9(16)7-13(11)24(18,19)20)12-6-4-10(17)8-14(12)25(21,22)23/h3-8H,16-17H2,1-2H3,(H,18,19,20)(H,21,22,23)