3,4-ditert-butyl-2-hexadecyl-4-oxidanyl-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 3,4-ditert-butyl-2-hexadecyl-4-oxidanyl-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 3,4-ditert-butyl-2-hexadecyl-4-hydroxy-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 3,4-ditert-butyl-2-hexadecyl-4-hydroxy-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 3,4-ditert-butyl-2-hexadecyl-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 3,4-ditert-butyl-2-cetyl-4-hydroxy-cyclohexa-2,5-diene-1-carboxylic acid Formula: C31H56O3 MolecularWeight: 476.77454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(C=CC1C(=O)O)(C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(C=CC1C(=O)O)(C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C31H56O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-26(28(32)33)23-24-31(34,30(5,6)7)27(25)29(2,3)4/h23-24,26,34H,8-22H2,1-7H3,(H,32,33)