(Z,7E)-7-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]-3-(3-phenoxyprop-1-en-2-yl)dec-2-ene-1,4-diol

Systemtic Name: (Z,7E)-7-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]-3-(3-phenoxyprop-1-en-2-yl)dec-2-ene-1,4-diol Openeye Name: (Z,7E)-7-[(5-bromo-2-hydroxy-phenyl)methylene]-3-[1-(phenoxymethyl)vinyl]dec-2-ene-1,4-diol CAS Name: (Z,7E)-7-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(3-phenoxyprop-1-en-2-yl)-2-decene-1,4-diol IUPAC Name: (Z,7E)-7-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(3-phenoxyprop-1-en-2-yl)dec-2-ene-1,4-diol Traditional Name: (2Z,7E)-8-(5-bromo-2-hydroxy-phenyl)-3-[1-(phenoxymethyl)vinyl]-7-propyl-octa-2,7-diene-1,4-diol Formula: C26H31BrO4 MolecularWeight: 487.42594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC1=C(C=CC(=C1)Br)O)CCC(C(=CCO)C(=C)COC2=CC=CC=C2)O

Isomeric SMILES

CCC/C(=C\C1=C(C=CC(=C1)Br)O)/CCC(/C(=C\CO)/C(=C)COC2=CC=CC=C2)O

InChI

InChI=1S/C26H31BrO4/c1-3-7-20(16-21-17-22(27)11-13-25(21)29)10-12-26(30)24(14-15-28)19(2)18-31-23-8-5-4-6-9-23/h4-6,8-9,11,13-14,16-17,26,28-30H,2-3,7,10,12,15,18H2,1H3/b20-16+,24-14-