[3-(1-adamantyl)-4-[2,3-bis(oxidanyl)propyl]phenyl] naphthalene-2-carboxylate

Systemtic Name: [3-(1-adamantyl)-4-[2,3-bis(oxidanyl)propyl]phenyl] naphthalene-2-carboxylate Openeye Name: [3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl] ester IUPAC Name: [3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [3-(1-adamantyl)-4-glyceryl-phenyl] ester Formula: C30H32O4 MolecularWeight: 456.57268

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)OC(=O)C5=CC6=CC=CC=C6C=C5)CC(CO)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)OC(=O)C5=CC6=CC=CC=C6C=C5)CC(CO)O

InChI

InChI=1S/C30H32O4/c31-18-26(32)13-24-7-8-27(34-29(33)25-6-5-22-3-1-2-4-23(22)12-25)14-28(24)30-15-19-9-20(16-30)11-21(10-19)17-30/h1-8,12,14,19-21,26,31-32H,9-11,13,15-18H2