4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-3-tert-butyl-benzoic acid

Systemtic Name: 4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-3-tert-butyl-benzoic acid Openeye Name: 4-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-3-tert-butyl-benzoic acid CAS Name: 4-[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethoxy]-3-tert-butylbenzoic acid IUPAC Name: 4-[3-(1-adamantyl)-4-methoxybenzoyl]oxy-3-tert-butylbenzoic acid Traditional Name: 4-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-3-tert-butyl-benzoic acid Formula: C29H34O5 MolecularWeight: 462.57726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C(=O)O)OC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C(=O)O)OC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H34O5/c1-28(2,3)22-12-20(26(30)31)5-8-25(22)34-27(32)21-6-7-24(33-4)23(13-21)29-14-17-9-18(15-29)11-19(10-17)16-29/h5-8,12-13,17-19H,9-11,14-16H2,1-4H3,(H,30,31)