(E)-3-[3-[4-(3-methylbutylsulfanyl)phenyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[4-(3-methylbutylsulfanyl)phenyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(4-isopentylsulfanylphenyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[4-(3-methylbutylthio)phenyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[4-(3-methylbutylsulfanyl)phenyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[4-(isoamylthio)phenyl]phenyl]acrylic acid Formula: C20H22O2S MolecularWeight: 326.45248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC=C(C=C1)C2=CC(=CC=C2)C=CC(=O)O

Isomeric SMILES

CC(C)CCSC1=CC=C(C=C1)C2=CC(=CC=C2)/C=C/C(=O)O

InChI

InChI=1S/C20H22O2S/c1-15(2)12-13-23-19-9-7-17(8-10-19)18-5-3-4-16(14-18)6-11-20(21)22/h3-11,14-15H,12-13H2,1-2H3,(H,21,22)/b11-6+