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

Systemtic Name: 4-[[2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3,7-dihydropurin-6-yl]oxymethyl]benzoic acid Openeye Name: 4-[[2-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3,7-dihydropurin-6-yl]oxymethyl]benzoic acid CAS Name: 4-[[2-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-3,7-dihydropurin-6-yl]oxymethyl]benzoic acid IUPAC Name: 4-[[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3,7-dihydropurin-6-yl]oxymethyl]benzoic acid Traditional Name: 4-[[2-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-3,7-dihydropurin-6-yl]oxymethyl]benzoic acid Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NC3=C(C(=N2)OCC4=CC=C(C=C4)C(=O)O)NC=N3)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2NC3=C(C(=N2)OCC4=CC=C(C=C4)C(=O)O)NC=N3)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C27H30N4O4/c1-26(2,3)18-11-17(12-19(21(18)32)27(4,5)6)22-30-23-20(28-14-29-23)24(31-22)35-13-15-7-9-16(10-8-15)25(33)34/h7-12,14,30H,13H2,1-6H3,(H,28,29)(H,33,34)