5-methyl-2-[(E)-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 5-methyl-2-[(E)-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-methyl-2-[(E)-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]vinyl]benzenesulfonic acid CAS Name: 5-methyl-2-[(E)-2-[4-methyl-2-(trioxidanylthio)phenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-methyl-2-[(E)-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-methyl-2-[(E)-2-[4-methyl-2-(trioxidanylthio)phenyl]vinyl]besylic acid Formula: C16H16O6S2 MolecularWeight: 368.42464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)C)S(=O)(=O)O)SOOO

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)C)S(=O)(=O)O)SOOO

InChI

InChI=1S/C16H16O6S2/c1-11-3-5-13(15(9-11)23-22-21-17)7-8-14-6-4-12(2)10-16(14)24(18,19)20/h3-10,17H,1-2H3,(H,18,19,20)/b8-7+