[(4E,8E)-4,8,12-trimethyl-16-methylidene-12-oxidanyl-15-oxidanylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] 4-bromanylbenzoate

Systemtic Name: [(4E,8E)-4,8,12-trimethyl-16-methylidene-12-oxidanyl-15-oxidanylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] 4-bromanylbenzoate Openeye Name: [(4E,8E)-12-hydroxy-4,8,12-trimethyl-16-methylene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(4E,8E)-12-hydroxy-4,8,12-trimethyl-16-methylene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] ester IUPAC Name: [(4E,8E)-12-hydroxy-4,8,12-trimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(4E,8E)-12-hydroxy-15-keto-4,8,12-trimethyl-16-methylene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] ester Formula: C27H33BrO5 MolecularWeight: 517.45192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(C2CC(C(CC(=CCC1)C)OC(=O)C3=CC=C(C=C3)Br)C(=C)C(=O)O2)(C)O

Isomeric SMILES

C/C/1=C\CCC(C2CC(C(C/C(=C/CC1)/C)OC(=O)C3=CC=C(C=C3)Br)C(=C)C(=O)O2)(C)O

InChI

InChI=1S/C27H33BrO5/c1-17-7-5-8-18(2)15-23(32-26(30)20-10-12-21(28)13-11-20)22-16-24(33-25(29)19(22)3)27(4,31)14-6-9-17/h8-13,22-24,31H,3,5-7,14-16H2,1-2,4H3/b17-9+,18-8+