(8-methoxy-5,9,13,14-tetramethyl-2-oxidanylidene-1-oxacyclotetradeca-3,6,9-trien-5-yl) 4-bromanylbenzoate

Systemtic Name: (8-methoxy-5,9,13,14-tetramethyl-2-oxidanylidene-1-oxacyclotetradeca-3,6,9-trien-5-yl) 4-bromanylbenzoate Openeye Name: (8-methoxy-5,9,13,14-tetramethyl-2-oxo-1-oxacyclotetradeca-3,6,9-trien-5-yl) 4-bromobenzoate CAS Name: 4-bromobenzoic acid (8-methoxy-5,9,13,14-tetramethyl-2-oxo-1-oxacyclotetradeca-3,6,9-trien-5-yl) ester IUPAC Name: (8-methoxy-5,9,13,14-tetramethyl-2-oxo-1-oxacyclotetradeca-3,6,9-trien-5-yl) 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (2-keto-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-5-yl) ester Formula: C25H31BrO5 MolecularWeight: 491.41464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC=C(C(C=CC(C=CC(=O)OC1C)(C)OC(=O)C2=CC=C(C=C2)Br)OC)C

Isomeric SMILES

CC1CCC=C(C(C=CC(C=CC(=O)OC1C)(C)OC(=O)C2=CC=C(C=C2)Br)OC)C

InChI

InChI=1S/C25H31BrO5/c1-17-7-6-8-18(2)22(29-5)13-15-25(4,16-14-23(27)30-19(17)3)31-24(28)20-9-11-21(26)12-10-20/h8-17,19,22H,6-7H2,1-5H3