(E)-1-[2-[(E)-7-iodanyl-4-methyl-hept-3-enyl]-4-methoxy-phenyl]pent-1-en-4-yn-3-one

Systemtic Name: (E)-1-[2-[(E)-7-iodanyl-4-methyl-hept-3-enyl]-4-methoxy-phenyl]pent-1-en-4-yn-3-one Openeye Name: (E)-1-[2-[(E)-7-iodo-4-methyl-hept-3-enyl]-4-methoxy-phenyl]pent-1-en-4-yn-3-one CAS Name: (E)-1-[2-[(E)-7-iodo-4-methylhept-3-enyl]-4-methoxyphenyl]-3-pent-1-en-4-ynone IUPAC Name: (E)-1-[2-[(E)-7-iodo-4-methylhept-3-enyl]-4-methoxyphenyl]pent-1-en-4-yn-3-one Traditional Name: (E)-1-[2-[(E)-7-iodo-4-methyl-hept-3-enyl]-4-methoxy-phenyl]pent-1-en-4-yn-3-one Formula: C20H23IO2 MolecularWeight: 422.29989

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC1=C(C=CC(=C1)OC)C=CC(=O)C#C)CCCI

Isomeric SMILES

C/C(=C\CCC1=C(C=CC(=C1)OC)/C=C/C(=O)C#C)/CCCI

InChI

InChI=1S/C20H23IO2/c1-4-19(22)12-10-17-11-13-20(23-3)15-18(17)9-5-7-16(2)8-6-14-21/h1,7,10-13,15H,5-6,8-9,14H2,2-3H3/b12-10+,16-7+