5-phenylsulfanylcarbonyloxy-2-[(E)-2-(4-phenylsulfanylcarbonyloxy-2-sulfo-phenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 5-phenylsulfanylcarbonyloxy-2-[(E)-2-(4-phenylsulfanylcarbonyloxy-2-sulfo-phenyl)ethenyl]benzenesulfonic acid Openeye Name: 5-phenylsulfanylcarbonyloxy-2-[(E)-2-(4-phenylsulfanylcarbonyloxy-2-sulfo-phenyl)vinyl]benzenesulfonic acid CAS Name: 5-[oxo-(phenylthio)methoxy]-2-[(E)-2-[4-[oxo-(phenylthio)methoxy]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-phenylsulfanylcarbonyloxy-2-[(E)-2-(4-phenylsulfanylcarbonyloxy-2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 5-(phenylthio)carbonyloxy-2-[(E)-2-[4-(phenylthio)carbonyloxy-2-sulfo-phenyl]vinyl]besylic acid Formula: C28H20O10S4 MolecularWeight: 644.7124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=O)OC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)OC(=O)SC4=CC=CC=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC(=O)OC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)OC(=O)SC4=CC=CC=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H20O10S4/c29-27(39-23-7-3-1-4-8-23)37-21-15-13-19(25(17-21)41(31,32)33)11-12-20-14-16-22(18-26(20)42(34,35)36)38-28(30)40-24-9-5-2-6-10-24/h1-18H,(H,31,32,33)(H,34,35,36)/b12-11+