[3-[3-(1-adamantyl)-3-oxidanylidene-propanoyl]-4-oxidanyl-phenyl] adamantane-1-carboxylate

Systemtic Name: [3-[3-(1-adamantyl)-3-oxidanylidene-propanoyl]-4-oxidanyl-phenyl] adamantane-1-carboxylate Openeye Name: [3-[3-(1-adamantyl)-3-oxo-propanoyl]-4-hydroxy-phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [3-[3-(1-adamantyl)-1,3-dioxopropyl]-4-hydroxyphenyl] ester IUPAC Name: [3-[3-(1-adamantyl)-3-oxopropanoyl]-4-hydroxyphenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [3-[3-(1-adamantyl)-3-keto-propanoyl]-4-hydroxy-phenyl] ester Formula: C30H36O5 MolecularWeight: 476.60384

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CC(=O)C4=C(C=CC(=C4)OC(=O)C56CC7CC(C5)CC(C7)C6)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CC(=O)C4=C(C=CC(=C4)OC(=O)C56CC7CC(C5)CC(C7)C6)O

InChI

InChI=1S/C30H36O5/c31-25-2-1-23(35-28(34)30-14-20-6-21(15-30)8-22(7-20)16-30)9-24(25)26(32)10-27(33)29-11-17-3-18(12-29)5-19(4-17)13-29/h1-2,9,17-22,31H,3-8,10-16H2