[4,6-ditert-butyl-2-methyl-2-[(3E,7Z)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3H-1-benzofuran-5-yl] ethanoate

Systemtic Name: [4,6-ditert-butyl-2-methyl-2-[(3E,7Z)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3H-1-benzofuran-5-yl] ethanoate Openeye Name: [4,6-ditert-butyl-2-methyl-2-[(3E,7Z)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3H-benzofuran-5-yl] acetate CAS Name: acetic acid [4,6-ditert-butyl-2-methyl-2-[(3E,7Z)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3H-benzofuran-5-yl] ester IUPAC Name: [4,6-ditert-butyl-2-methyl-2-[(3E,7Z)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3H-1-benzofuran-5-yl] acetate Traditional Name: acetic acid [4,6-ditert-butyl-2-methyl-2-[(3E,7Z)-4,8,12-trimethyltrideca-3,7,11-trienyl]coumaran-5-yl] ester Formula: C35H54O3 MolecularWeight: 522.80146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCCC1(CC2=C(O1)C=C(C(=C2C(C)(C)C)OC(=O)C)C(C)(C)C)C)C)C)C

Isomeric SMILES

CC(=CCC/C(=C\CC/C(=C/CCC1(CC2=C(O1)C=C(C(=C2C(C)(C)C)OC(=O)C)C(C)(C)C)C)/C)/C)C

InChI

InChI=1S/C35H54O3/c1-24(2)16-13-17-25(3)18-14-19-26(4)20-15-21-35(12)23-28-30(38-35)22-29(33(6,7)8)32(37-27(5)36)31(28)34(9,10)11/h16,18,20,22H,13-15,17,19,21,23H2,1-12H3/b25-18-,26-20+