4-chloranyl-2-[6-(5-chloranyl-2-sulfo-phenyl)hexa-2,4-diynyl]benzenesulfonic acid

Systemtic Name: 4-chloranyl-2-[6-(5-chloranyl-2-sulfo-phenyl)hexa-2,4-diynyl]benzenesulfonic acid Openeye Name: 4-chloro-2-[6-(5-chloro-2-sulfo-phenyl)hexa-2,4-diynyl]benzenesulfonic acid CAS Name: 4-chloro-2-[6-(5-chloro-2-sulfophenyl)hexa-2,4-diynyl]benzenesulfonic acid IUPAC Name: 4-chloro-2-[6-(5-chloro-2-sulfophenyl)hexa-2,4-diynyl]benzenesulfonic acid Traditional Name: 4-chloro-2-[6-(5-chloro-2-sulfo-phenyl)hexa-2,4-diynyl]besylic acid Formula: C18H12Cl2O6S2 MolecularWeight: 459.32028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)CC#CC#CCC2=C(C=CC(=C2)Cl)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)CC#CC#CCC2=C(C=CC(=C2)Cl)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H12Cl2O6S2/c19-15-7-9-17(27(21,22)23)13(11-15)5-3-1-2-4-6-14-12-16(20)8-10-18(14)28(24,25)26/h7-12H,5-6H2,(H,21,22,23)(H,24,25,26)