4-methyl-2-[3-[2-[3-(5-methyl-2-sulfo-phenyl)propylsulfanyl]ethylsulfanyl]propyl]benzenesulfonic acid

Systemtic Name: 4-methyl-2-[3-[2-[3-(5-methyl-2-sulfo-phenyl)propylsulfanyl]ethylsulfanyl]propyl]benzenesulfonic acid Openeye Name: 4-methyl-2-[3-[2-[3-(5-methyl-2-sulfo-phenyl)propylsulfanyl]ethylsulfanyl]propyl]benzenesulfonic acid CAS Name: 4-methyl-2-[3-[2-[3-(5-methyl-2-sulfophenyl)propylthio]ethylthio]propyl]benzenesulfonic acid IUPAC Name: 4-methyl-2-[3-[2-[3-(5-methyl-2-sulfophenyl)propylsulfanyl]ethylsulfanyl]propyl]benzenesulfonic acid Traditional Name: 4-methyl-2-[3-[2-[3-(5-methyl-2-sulfo-phenyl)propylthio]ethylthio]propyl]besylic acid Formula: C22H30O6S4 MolecularWeight: 518.73

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CCCSCCSCCCC2=C(C=CC(=C2)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CCCSCCSCCCC2=C(C=CC(=C2)C)S(=O)(=O)O

InChI

InChI=1S/C22H30O6S4/c1-17-7-9-21(31(23,24)25)19(15-17)5-3-11-29-13-14-30-12-4-6-20-16-18(2)8-10-22(20)32(26,27)28/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,23,24,25)(H,26,27,28)