(E)-3,4-bis[(2-bromophenyl)methyl]oct-3-en-5-yne-1,8-diol

Systemtic Name: (E)-3,4-bis[(2-bromophenyl)methyl]oct-3-en-5-yne-1,8-diol Openeye Name: (E)-3,4-bis[(2-bromophenyl)methyl]oct-3-en-5-yne-1,8-diol CAS Name: (E)-3,4-bis[(2-bromophenyl)methyl]oct-3-en-5-yne-1,8-diol IUPAC Name: (E)-3,4-bis[(2-bromophenyl)methyl]oct-3-en-5-yne-1,8-diol Traditional Name: (E)-3,4-bis(2-bromobenzyl)oct-3-en-5-yne-1,8-diol Formula: C22H22Br2O2 MolecularWeight: 478.21688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=C(CC2=CC=CC=C2Br)C#CCCO)CCO)Br

Isomeric SMILES

C1=CC=C(C(=C1)C/C(=C(/CC2=CC=CC=C2Br)\C#CCCO)/CCO)Br

InChI

InChI=1S/C22H22Br2O2/c23-21-10-3-1-8-19(21)15-17(7-5-6-13-25)18(12-14-26)16-20-9-2-4-11-22(20)24/h1-4,8-11,25-26H,6,12-16H2/b18-17+