[7-[4-[8-[(E)-but-2-enoyl]oxy-2,6-dimethyl-octan-2-yl]-2,5-bis(oxidanyl)phenyl]-3,7-dimethyl-octyl] (E)-but-2-enoate

Systemtic Name: [7-[4-[8-[(E)-but-2-enoyl]oxy-2,6-dimethyl-octan-2-yl]-2,5-bis(oxidanyl)phenyl]-3,7-dimethyl-octyl] (E)-but-2-enoate Openeye Name: [7-[4-[7-[(E)-but-2-enoyl]oxy-1,1,5-trimethyl-heptyl]-2,5-dihydroxy-phenyl]-3,7-dimethyl-octyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [7-[4-[2,6-dimethyl-8-[(E)-1-oxobut-2-enoxy]octan-2-yl]-2,5-dihydroxyphenyl]-3,7-dimethyloctyl] ester IUPAC Name: [7-[4-[8-[(E)-but-2-enoyl]oxy-2,6-dimethyloctan-2-yl]-2,5-dihydroxyphenyl]-3,7-dimethyloctyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [7-[4-[7-[(E)-but-2-enoyl]oxy-1,1,5-trimethyl-heptyl]-2,5-dihydroxy-phenyl]-3,7-dimethyl-octyl] ester Formula: C34H54O6 MolecularWeight: 558.78896

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCCC(C)CCCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CCCC(C)CCOC(=O)C=CC)O

Isomeric SMILES

C/C=C/C(=O)OCCC(C)CCCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CCCC(C)CCOC(=O)/C=C/C)O

InChI

InChI=1S/C34H54O6/c1-9-13-31(37)39-21-17-25(3)15-11-19-33(5,6)27-23-30(36)28(24-29(27)35)34(7,8)20-12-16-26(4)18-22-40-32(38)14-10-2/h9-10,13-14,23-26,35-36H,11-12,15-22H2,1-8H3/b13-9+,14-10+