(3-heptyl-5-oxidanyl-phenyl) 2-heptyl-4,6-bis(oxidanyl)benzoate

Systemtic Name: (3-heptyl-5-oxidanyl-phenyl) 2-heptyl-4,6-bis(oxidanyl)benzoate Openeye Name: (3-heptyl-5-hydroxy-phenyl) 2-heptyl-4,6-dihydroxy-benzoate CAS Name: 2-heptyl-4,6-dihydroxybenzoic acid (3-heptyl-5-hydroxyphenyl) ester IUPAC Name: (3-heptyl-5-hydroxyphenyl) 2-heptyl-4,6-dihydroxybenzoate Traditional Name: 2-heptyl-4,6-dihydroxy-benzoic acid (3-heptyl-5-hydroxy-phenyl) ester Formula: C27H38O5 MolecularWeight: 442.58762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=CC(=C1)OC(=O)C2=C(C=C(C=C2CCCCCCC)O)O)O

Isomeric SMILES

CCCCCCCC1=CC(=CC(=C1)OC(=O)C2=C(C=C(C=C2CCCCCCC)O)O)O

InChI

InChI=1S/C27H38O5/c1-3-5-7-9-11-13-20-15-22(28)18-24(16-20)32-27(31)26-21(14-12-10-8-6-4-2)17-23(29)19-25(26)30/h15-19,28-30H,3-14H2,1-2H3