(3E,5E,7E)-8-(6-chloranyl-8-methyl-2H-chromen-3-yl)-4-methyl-nona-3,5,7-trienoate

Systemtic Name: (3E,5E,7E)-8-(6-chloranyl-8-methyl-2H-chromen-3-yl)-4-methyl-nona-3,5,7-trienoate Openeye Name: (3E,5E,7E)-8-(6-chloro-8-methyl-2H-chromen-3-yl)-4-methyl-nona-3,5,7-trienoate CAS Name: (3E,5E,7E)-8-(6-chloro-8-methyl-2H-1-benzopyran-3-yl)-4-methylnona-3,5,7-trienoate IUPAC Name: (3E,5E,7E)-8-(6-chloro-8-methyl-2H-chromen-3-yl)-4-methylnona-3,5,7-trienoate Traditional Name: (3E,5E,7E)-8-(6-chloro-8-methyl-2H-chromen-3-yl)-4-methyl-nona-3,5,7-trienoate Formula: C20H20ClO3- MolecularWeight: 343.824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Cl)C=C(CO2)C(=CC=CC(=CCC(=O)[O-])C)C

Isomeric SMILES

CC1=C2C(=CC(=C1)Cl)C=C(CO2)/C(=C/C=C/C(=C/CC(=O)[O-])/C)/C

InChI

InChI=1S/C20H21ClO3/c1-13(7-8-19(22)23)5-4-6-14(2)17-10-16-11-18(21)9-15(3)20(16)24-12-17/h4-7,9-11H,8,12H2,1-3H3,(H,22,23)/p-1/b5-4+,13-7+,14-6+