5-(methylamino)-2-[[4-(methylamino)-2-sulfo-phenyl]amino]benzenesulfonic acid

Systemtic Name: 5-(methylamino)-2-[[4-(methylamino)-2-sulfo-phenyl]amino]benzenesulfonic acid Openeye Name: 5-(methylamino)-2-[4-(methylamino)-2-sulfo-anilino]benzenesulfonic acid CAS Name: 5-(methylamino)-2-[4-(methylamino)-2-sulfoanilino]benzenesulfonic acid IUPAC Name: 5-(methylamino)-2-[4-(methylamino)-2-sulfoanilino]benzenesulfonic acid Traditional Name: 5-(methylamino)-2-[4-(methylamino)-2-sulfo-anilino]besylic acid Formula: C14H17N3O6S2 MolecularWeight: 387.43128

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=C(C=C1)NC2=C(C=C(C=C2)NC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CNC1=CC(=C(C=C1)NC2=C(C=C(C=C2)NC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H17N3O6S2/c1-15-9-3-5-11(13(7-9)24(18,19)20)17-12-6-4-10(16-2)8-14(12)25(21,22)23/h3-8,15-17H,1-2H3,(H,18,19,20)(H,21,22,23)