2-azanyl-5-(bromomethyloxy)-4-chloranyl-3-[2-(2-chloranylphenoxy)-4-phenoxy-3-sulfo-phenoxy]sulfonyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-5-(bromomethyloxy)-4-chloranyl-3-[2-(2-chloranylphenoxy)-4-phenoxy-3-sulfo-phenoxy]sulfonyl-benzenesulfonic acid Openeye Name: 2-amino-5-(bromomethoxy)-4-chloro-3-[2-(2-chlorophenoxy)-4-phenoxy-3-sulfo-phenoxy]sulfonyl-benzenesulfonic acid CAS Name: 2-amino-5-(bromomethoxy)-4-chloro-3-[2-(2-chlorophenoxy)-4-phenoxy-3-sulfophenoxy]sulfonylbenzenesulfonic acid IUPAC Name: 2-amino-5-(bromomethoxy)-4-chloro-3-[2-(2-chlorophenoxy)-4-phenoxy-3-sulfophenoxy]sulfonylbenzenesulfonic acid Traditional Name: 2-amino-5-(bromomethoxy)-4-chloro-3-[2-(2-chlorophenoxy)-4-phenoxy-3-sulfo-phenoxy]sulfonyl-besylic acid Formula: C25H18BrCl2NO12S3 MolecularWeight: 771.41492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C(=C(C=C2)OS(=O)(=O)C3=C(C(=CC(=C3N)S(=O)(=O)O)OCBr)Cl)OC4=CC=CC=C4Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C(=C(C=C2)OS(=O)(=O)C3=C(C(=CC(=C3N)S(=O)(=O)O)OCBr)Cl)OC4=CC=CC=C4Cl)S(=O)(=O)O

InChI

InChI=1S/C25H18BrCl2NO12S3/c26-13-38-19-12-20(42(30,31)32)22(29)25(21(19)28)44(36,37)41-17-10-11-18(39-14-6-2-1-3-7-14)24(43(33,34)35)23(17)40-16-9-5-4-8-15(16)27/h1-12H,13,29H2,(H,30,31,32)(H,33,34,35)