phenyl 2,3,4,5-tetrabutyl-6-oxidanyl-benzoate

Systemtic Name: phenyl 2,3,4,5-tetrabutyl-6-oxidanyl-benzoate Openeye Name: phenyl 2,3,4,5-tetrabutyl-6-hydroxy-benzoate CAS Name: 2,3,4,5-tetrabutyl-6-hydroxybenzoic acid phenyl ester IUPAC Name: phenyl 2,3,4,5-tetrabutyl-6-hydroxybenzoate Traditional Name: 2,3,4,5-tetrabutyl-6-hydroxy-benzoic acid phenyl ester Formula: C29H42O3 MolecularWeight: 438.64198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1CCCC)C(=O)OC2=CC=CC=C2)O)CCCC)CCCC

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1CCCC)C(=O)OC2=CC=CC=C2)O)CCCC)CCCC

InChI

InChI=1S/C29H42O3/c1-5-9-18-23-24(19-10-6-2)26(21-12-8-4)28(30)27(25(23)20-11-7-3)29(31)32-22-16-14-13-15-17-22/h13-17,30H,5-12,18-21H2,1-4H3