2,7-ditert-butyl-5-(3-methanoyl-4-oxidanyl-phenyl)-9,9-dimethyl-xanthene-4-carboxylic acid

Systemtic Name: 2,7-ditert-butyl-5-(3-methanoyl-4-oxidanyl-phenyl)-9,9-dimethyl-xanthene-4-carboxylic acid Openeye Name: 2,7-ditert-butyl-5-(3-formyl-4-hydroxy-phenyl)-9,9-dimethyl-xanthene-4-carboxylic acid CAS Name: 2,7-ditert-butyl-5-(3-formyl-4-hydroxyphenyl)-9,9-dimethyl-4-xanthenecarboxylic acid IUPAC Name: 2,7-ditert-butyl-5-(3-formyl-4-hydroxyphenyl)-9,9-dimethylxanthene-4-carboxylic acid Traditional Name: 2,7-ditert-butyl-5-(3-formyl-4-hydroxy-phenyl)-9,9-dimethyl-xanthene-4-carboxylic acid Formula: C31H34O5 MolecularWeight: 486.59866

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=CC(=C2)C(C)(C)C)C3=CC(=C(C=C3)O)C=O)OC4=C1C=C(C=C4C(=O)O)C(C)(C)C)C

Isomeric SMILES

CC1(C2=C(C(=CC(=C2)C(C)(C)C)C3=CC(=C(C=C3)O)C=O)OC4=C1C=C(C=C4C(=O)O)C(C)(C)C)C

InChI

InChI=1S/C31H34O5/c1-29(2,3)19-12-21(17-9-10-25(33)18(11-17)16-32)26-23(14-19)31(7,8)24-15-20(30(4,5)6)13-22(28(34)35)27(24)36-26/h9-16,33H,1-8H3,(H,34,35)