8-[[2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3,7-dihydropurin-6-yl]oxy]octanoic acid

Systemtic Name: 8-[[2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3,7-dihydropurin-6-yl]oxy]octanoic acid Openeye Name: 8-[[2-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3,7-dihydropurin-6-yl]oxy]octanoic acid CAS Name: 8-[[2-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-3,7-dihydropurin-6-yl]oxy]octanoic acid IUPAC Name: 8-[[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3,7-dihydropurin-6-yl]oxy]octanoic acid Traditional Name: 8-[[2-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-3,7-dihydropurin-6-yl]oxy]caprylic acid Formula: C27H38N4O4 MolecularWeight: 482.61502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NC3=C(C(=N2)OCCCCCCCC(=O)O)NC=N3)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2NC3=C(C(=N2)OCCCCCCCC(=O)O)NC=N3)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C27H38N4O4/c1-26(2,3)18-14-17(15-19(22(18)34)27(4,5)6)23-30-24-21(28-16-29-24)25(31-23)35-13-11-9-7-8-10-12-20(32)33/h14-16,30H,7-13H2,1-6H3,(H,28,29)(H,32,33)