4-[(E)-2-[2-methyl-4-(3-methylbut-2-enylsulfanyl)phenyl]ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-[2-methyl-4-(3-methylbut-2-enylsulfanyl)phenyl]ethenyl]benzoic acid Openeye Name: 4-[(E)-2-[2-methyl-4-(3-methylbut-2-enylsulfanyl)phenyl]vinyl]benzoic acid CAS Name: 4-[(E)-2-[2-methyl-4-(3-methylbut-2-enylthio)phenyl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-[2-methyl-4-(3-methylbut-2-enylsulfanyl)phenyl]ethenyl]benzoic acid Traditional Name: 4-[(E)-2-[2-methyl-4-(3-methylbut-2-enylthio)phenyl]vinyl]benzoic acid Formula: C21H22O2S MolecularWeight: 338.46318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC=C(C)C)C=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC=C(C)C)/C=C/C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H22O2S/c1-15(2)12-13-24-20-11-10-18(16(3)14-20)7-4-17-5-8-19(9-6-17)21(22)23/h4-12,14H,13H2,1-3H3,(H,22,23)/b7-4+