2-iodanyl-1-methoxy-6,6-dimethyl-3-(2,7,7-trimethyloctan-2-yl)benzo[c]chromene-9-carboxylic acid

Systemtic Name: 2-iodanyl-1-methoxy-6,6-dimethyl-3-(2,7,7-trimethyloctan-2-yl)benzo[c]chromene-9-carboxylic acid Openeye Name: 2-iodo-1-methoxy-6,6-dimethyl-3-(1,1,6,6-tetramethylheptyl)benzo[c]chromene-9-carboxylic acid CAS Name: 2-iodo-1-methoxy-6,6-dimethyl-3-(2,7,7-trimethyloctan-2-yl)-9-benzo[c][1]benzopyrancarboxylic acid IUPAC Name: 2-iodo-1-methoxy-6,6-dimethyl-3-(2,7,7-trimethyloctan-2-yl)benzo[c]chromene-9-carboxylic acid Traditional Name: 2-iodo-1-methoxy-6,6-dimethyl-3-(1,1,6,6-tetramethylheptyl)benzo[c]chromene-9-carboxylic acid Formula: C28H37IO4 MolecularWeight: 564.49545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)C(=O)O)C3=C(O1)C=C(C(=C3OC)I)C(C)(C)CCCCC(C)(C)C)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)C(=O)O)C3=C(O1)C=C(C(=C3OC)I)C(C)(C)CCCCC(C)(C)C)C

InChI

InChI=1S/C28H37IO4/c1-26(2,3)13-9-10-14-27(4,5)20-16-21-22(24(32-8)23(20)29)18-15-17(25(30)31)11-12-19(18)28(6,7)33-21/h11-12,15-16H,9-10,13-14H2,1-8H3,(H,30,31)