4-[2,7-ditert-butyl-5-(3-methanoyl-4-methoxy-phenyl)-9,9-dimethyl-xanthen-4-yl]benzoic acid

Systemtic Name: 4-[2,7-ditert-butyl-5-(3-methanoyl-4-methoxy-phenyl)-9,9-dimethyl-xanthen-4-yl]benzoic acid Openeye Name: 4-[2,7-ditert-butyl-5-(3-formyl-4-methoxy-phenyl)-9,9-dimethyl-xanthen-4-yl]benzoic acid CAS Name: 4-[2,7-ditert-butyl-5-(3-formyl-4-methoxyphenyl)-9,9-dimethyl-4-xanthenyl]benzoic acid IUPAC Name: 4-[2,7-ditert-butyl-5-(3-formyl-4-methoxyphenyl)-9,9-dimethylxanthen-4-yl]benzoic acid Traditional Name: 4-[2,7-ditert-butyl-5-(3-formyl-4-methoxy-phenyl)-9,9-dimethyl-xanthen-4-yl]benzoic acid Formula: C38H40O5 MolecularWeight: 576.7212

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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)C(=O)O)OC4=C1C=C(C=C4C5=CC(=C(C=C5)OC)C=O)C(C)(C)C)C

Isomeric SMILES

CC1(C2=C(C(=CC(=C2)C(C)(C)C)C3=CC=C(C=C3)C(=O)O)OC4=C1C=C(C=C4C5=CC(=C(C=C5)OC)C=O)C(C)(C)C)C

InChI

InChI=1S/C38H40O5/c1-36(2,3)26-17-28(22-10-12-23(13-11-22)35(40)41)33-30(19-26)38(7,8)31-20-27(37(4,5)6)18-29(34(31)43-33)24-14-15-32(42-9)25(16-24)21-39/h10-21H,1-9H3,(H,40,41)