(2E)-3,7-dimethylocta-2,6-dienal; 4-(4-hydroxyphenyl)butan-2-one

Systemtic Name: (2E)-3,7-dimethylocta-2,6-dienal; 4-(4-hydroxyphenyl)butan-2-one Openeye Name: (2E)-3,7-dimethylocta-2,6-dienal; 4-(4-hydroxyphenyl)butan-2-one CAS Name: (2E)-3,7-dimethylocta-2,6-dienal; 4-(4-hydroxyphenyl)-2-butanone IUPAC Name: (2E)-3,7-dimethylocta-2,6-dienal; 4-(4-hydroxyphenyl)butan-2-one Traditional Name: (2E)-3,7-dimethylocta-2,6-dienal; 4-(4-hydroxyphenyl)butan-2-one Formula: C20H28O3 MolecularWeight: 316.43452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CC=O)C)C.CC(=O)CCC1=CC=C(C=C1)O

Isomeric SMILES

CC(=CCC/C(=C/C=O)/C)C.CC(=O)CCC1=CC=C(C=C1)O

InChI

InChI=1S/C10H12O2.C10H16O/c1-8(11)2-3-9-4-6-10(12)7-5-9;1-9(2)5-4-6-10(3)7-8-11/h4-7,12H,2-3H2,1H3;5,7-8H,4,6H2,1-3H3/b;10-7+