(2E,4E,6E)-7-(6-tert-butyl-8-methyl-2H-chromen-3-yl)hepta-2,4,6-trienoic acid

Systemtic Name: (2E,4E,6E)-7-(6-tert-butyl-8-methyl-2H-chromen-3-yl)hepta-2,4,6-trienoic acid Openeye Name: (2E,4E,6E)-7-(6-tert-butyl-8-methyl-2H-chromen-3-yl)hepta-2,4,6-trienoic acid CAS Name: (2E,4E,6E)-7-(6-tert-butyl-8-methyl-2H-1-benzopyran-3-yl)hepta-2,4,6-trienoic acid IUPAC Name: (2E,4E,6E)-7-(6-tert-butyl-8-methyl-2H-chromen-3-yl)hepta-2,4,6-trienoic acid Traditional Name: (2E,4E,6E)-7-(6-tert-butyl-8-methyl-2H-chromen-3-yl)hepta-2,4,6-trienoic acid Formula: C21H24O3 MolecularWeight: 324.41346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C(C)(C)C)C=C(CO2)C=CC=CC=CC(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1)C(C)(C)C)C=C(CO2)/C=C/C=C/C=C/C(=O)O

InChI

InChI=1S/C21H24O3/c1-15-11-18(21(2,3)4)13-17-12-16(14-24-20(15)17)9-7-5-6-8-10-19(22)23/h5-13H,14H2,1-4H3,(H,22,23)/b6-5+,9-7+,10-8+