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

Systemtic Name: 5-azanyl-2-[[4-[(4-azanyl-2-sulfo-phenyl)amino]phenyl]amino]benzenesulfonic acid Openeye Name: 5-amino-2-[4-(4-amino-2-sulfo-anilino)anilino]benzenesulfonic acid CAS Name: 5-amino-2-[4-(4-amino-2-sulfoanilino)anilino]benzenesulfonic acid IUPAC Name: 5-amino-2-[4-(4-amino-2-sulfoanilino)anilino]benzenesulfonic acid Traditional Name: 5-amino-2-[4-(4-amino-2-sulfo-anilino)anilino]besylic acid Formula: C18H18N4O6S2 MolecularWeight: 450.48872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C=C2)N)S(=O)(=O)O)NC3=C(C=C(C=C3)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2)N)S(=O)(=O)O)NC3=C(C=C(C=C3)N)S(=O)(=O)O

InChI

InChI=1S/C18H18N4O6S2/c19-11-1-7-15(17(9-11)29(23,24)25)21-13-3-5-14(6-4-13)22-16-8-2-12(20)10-18(16)30(26,27)28/h1-10,21-22H,19-20H2,(H,23,24,25)(H,26,27,28)