4-[(E)-2-[4-(3-methylbutylsulfanyl)phenyl]prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-[4-(3-methylbutylsulfanyl)phenyl]prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(4-isopentylsulfanylphenyl)prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-[4-(3-methylbutylthio)phenyl]prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-[4-(3-methylbutylsulfanyl)phenyl]prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-[4-(isoamylthio)phenyl]prop-1-enyl]benzoic acid Formula: C21H24O2S MolecularWeight: 340.47906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC=C(C=C1)C(=CC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24O2S/c1-15(2)12-13-24-20-10-8-18(9-11-20)16(3)14-17-4-6-19(7-5-17)21(22)23/h4-11,14-15H,12-13H2,1-3H3,(H,22,23)/b16-14+