methyl 2,7-ditert-butyl-5-(3-methanoyl-4-methoxy-phenyl)-9,9-dimethyl-xanthene-4-carboxylate

Systemtic Name: methyl 2,7-ditert-butyl-5-(3-methanoyl-4-methoxy-phenyl)-9,9-dimethyl-xanthene-4-carboxylate Openeye Name: methyl 2,7-ditert-butyl-5-(3-formyl-4-methoxy-phenyl)-9,9-dimethyl-xanthene-4-carboxylate CAS Name: 2,7-ditert-butyl-5-(3-formyl-4-methoxyphenyl)-9,9-dimethyl-4-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 2,7-ditert-butyl-5-(3-formyl-4-methoxyphenyl)-9,9-dimethylxanthene-4-carboxylate Traditional Name: 2,7-ditert-butyl-5-(3-formyl-4-methoxy-phenyl)-9,9-dimethyl-xanthene-4-carboxylic acid methyl ester Formula: C33H38O5 MolecularWeight: 514.65182

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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)OC)C=O)OC4=C1C=C(C=C4C(=O)OC)C(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C33H38O5/c1-31(2,3)21-14-23(19-11-12-27(36-9)20(13-19)18-34)28-25(16-21)33(7,8)26-17-22(32(4,5)6)15-24(29(26)38-28)30(35)37-10/h11-18H,1-10H3