3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]benzoic acid

Systemtic Name: 3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]benzoic acid Openeye Name: 3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]benzoic acid CAS Name: 3-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]benzoic acid IUPAC Name: 3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]benzoic acid Traditional Name: 3-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]benzoic acid Formula: C27H33NO3 MolecularWeight: 419.55582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=CC(=C2)C(=O)O)C)C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=CC(=C2)C(=O)O)/C)/C

InChI

InChI=1S/C27H33NO3/c1-19(14-15-24-21(3)11-8-16-27(24,4)5)9-6-10-20(2)17-25(29)28-23-13-7-12-22(18-23)26(30)31/h6-7,9-10,12-15,17-18H,8,11,16H2,1-5H3,(H,28,29)(H,30,31)/b10-6+,15-14+,19-9+,20-17+