2-[2-bromanyl-4-[(E)-3-(3-methoxyphenyl)-3-phenyl-prop-2-enyl]sulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-bromanyl-4-[(E)-3-(3-methoxyphenyl)-3-phenyl-prop-2-enyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-4-[(E)-3-(3-methoxyphenyl)-3-phenyl-allyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[2-bromo-4-[[(E)-3-(3-methoxyphenyl)-3-phenylprop-2-enyl]thio]phenoxy]acetic acid IUPAC Name: 2-[2-bromo-4-[(E)-3-(3-methoxyphenyl)-3-phenylprop-2-enyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[2-bromo-4-[[(E)-3-(3-methoxyphenyl)-3-phenyl-allyl]thio]phenoxy]acetic acid Formula: C24H21BrO4S MolecularWeight: 485.39014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=CCSC2=CC(=C(C=C2)OCC(=O)O)Br)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)/C(=C/CSC2=CC(=C(C=C2)OCC(=O)O)Br)/C3=CC=CC=C3

InChI

InChI=1S/C24H21BrO4S/c1-28-19-9-5-8-18(14-19)21(17-6-3-2-4-7-17)12-13-30-20-10-11-23(22(25)15-20)29-16-24(26)27/h2-12,14-15H,13,16H2,1H3,(H,26,27)/b21-12+