2-methyl-2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenyl]sulfanyl-butanoic acid

Systemtic Name: 2-methyl-2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenyl]sulfanyl-butanoic acid Openeye Name: 2-methyl-2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenyl]sulfanyl-butanoic acid CAS Name: 2-methyl-2-[[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenyl]thio]butanoic acid IUPAC Name: 2-methyl-2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenyl]sulfanylbutanoic acid Traditional Name: 2-methyl-2-[[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenyl]thio]butyric acid Formula: C27H28O3S MolecularWeight: 432.57442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)SC1=CC=C(C=C1)OCC=C(C)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C(=O)O)SC1=CC=C(C=C1)OC/C=C(\C)/C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H28O3S/c1-4-27(3,26(28)29)31-25-16-14-24(15-17-25)30-19-18-20(2)21-10-12-23(13-11-21)22-8-6-5-7-9-22/h5-18H,4,19H2,1-3H3,(H,28,29)/b20-18+