4-chloranyl-5-(2-chloranyl-5-sulfo-phenyl)-2,3-bis[(E)-2-phenylethenyl]benzenesulfonic acid

Systemtic Name: 4-chloranyl-5-(2-chloranyl-5-sulfo-phenyl)-2,3-bis[(E)-2-phenylethenyl]benzenesulfonic acid Openeye Name: 4-chloro-5-(2-chloro-5-sulfo-phenyl)-2,3-bis[(E)-styryl]benzenesulfonic acid CAS Name: 4-chloro-5-(2-chloro-5-sulfophenyl)-2,3-bis[(E)-2-phenylethenyl]benzenesulfonic acid IUPAC Name: 4-chloro-5-(2-chloro-5-sulfophenyl)-2,3-bis[(E)-2-phenylethenyl]benzenesulfonic acid Traditional Name: 4-chloro-5-(2-chloro-5-sulfo-phenyl)-2,3-bis[(E)-styryl]besylic acid Formula: C28H20Cl2O6S2 MolecularWeight: 587.4908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=C(C=C(C(=C2C=CC3=CC=CC=C3)Cl)C4=C(C=CC(=C4)S(=O)(=O)O)Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=C(C=C(C(=C2/C=C/C3=CC=CC=C3)Cl)C4=C(C=CC(=C4)S(=O)(=O)O)Cl)S(=O)(=O)O

InChI

InChI=1S/C28H20Cl2O6S2/c29-26-16-13-21(37(31,32)33)17-24(26)25-18-27(38(34,35)36)22(14-11-19-7-3-1-4-8-19)23(28(25)30)15-12-20-9-5-2-6-10-20/h1-18H,(H,31,32,33)(H,34,35,36)/b14-11+,15-12+