4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methyl-icosanoate

Systemtic Name: 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methyl-icosanoate Openeye Name: 4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-methyl-icosanoate CAS Name: 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methyleicosanoate IUPAC Name: 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylicosanoate Traditional Name: 4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-methyl-arachidate Formula: C35H61O3- MolecularWeight: 529.85704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC(C)C(=O)[O-])C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC(C)C(=O)[O-])C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C35H62O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(24-27(2)33(37)38)29-25-30(34(3,4)5)32(36)31(26-29)35(6,7)8/h25-28,36H,9-24H2,1-8H3,(H,37,38)/p-1