octadecyl 3-[2,3-dimethyl-5-(2-methylheptan-2-yl)-4-oxidanyl-phenyl]propanoate

Systemtic Name: octadecyl 3-[2,3-dimethyl-5-(2-methylheptan-2-yl)-4-oxidanyl-phenyl]propanoate Openeye Name: octadecyl 3-[5-(1,1-dimethylhexyl)-4-hydroxy-2,3-dimethyl-phenyl]propanoate CAS Name: 3-[4-hydroxy-2,3-dimethyl-5-(2-methylheptan-2-yl)phenyl]propanoic acid octadecyl ester IUPAC Name: octadecyl 3-[4-hydroxy-2,3-dimethyl-5-(2-methylheptan-2-yl)phenyl]propanoate Traditional Name: 3-[5-(1,1-dimethylhexyl)-4-hydroxy-2,3-dimethyl-phenyl]propionic acid stearyl ester Formula: C37H66O3 MolecularWeight: 558.91814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1C)C)O)C(C)(C)CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1C)C)O)C(C)(C)CCCCC

InChI

InChI=1S/C37H66O3/c1-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-29-40-35(38)27-26-33-30-34(36(39)32(4)31(33)3)37(5,6)28-24-10-8-2/h30,39H,7-29H2,1-6H3