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2-[4-[3,3-bis(3-ethylphenyl)prop-2-enylsulfanyl]phenoxy]ethanoic acid

2-[4-[3,3-bis(3-ethylphenyl)prop-2-enylsulfanyl]phenoxy]ethanoic acid

Systemtic Name:2-[4-[3,3-bis(3-ethylphenyl)prop-2-enylsulfanyl]phenoxy]ethanoic acid
Openeye Name:2-[4-[3,3-bis(3-ethylphenyl)allylsulfanyl]phenoxy]acetic acid
CAS Name:2-[4-[3,3-bis(3-ethylphenyl)prop-2-enylthio]phenoxy]acetic acid
IUPAC Name:2-[4-[3,3-bis(3-ethylphenyl)prop-2-enylsulfanyl]phenoxy]acetic acid
Traditional Name:2-[4-[3,3-bis(3-ethylphenyl)allylthio]phenoxy]acetic acid
Formula: C27H28O3S
MolecularWeight: 432.57442
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C(=CCSC2=CC=C(C=C2)OCC(=O)O)C3=CC(=CC=C3)CC


Isomeric SMILES

CCC1=CC=CC(=C1)C(=CCSC2=CC=C(C=C2)OCC(=O)O)C3=CC(=CC=C3)CC


InChI

InChI=1S/C27H28O3S/c1-3-20-7-5-9-22(17-20)26(23-10-6-8-21(4-2)18-23)15-16-31-25-13-11-24(12-14-25)30-19-27(28)29/h5-15,17-18H,3-4,16,19H2,1-2H3,(H,28,29)


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