[1-[3-(3-methyl-1-adamantyl)-4-oxidanyl-phenyl]naphthalen-2-yl] hydrogen carbonate

Systemtic Name: [1-[3-(3-methyl-1-adamantyl)-4-oxidanyl-phenyl]naphthalen-2-yl] hydrogen carbonate Openeye Name: [1-[4-hydroxy-3-(3-methyl-1-adamantyl)phenyl]-2-naphthyl] hydrogen carbonate CAS Name: carbonic acid [1-[4-hydroxy-3-(3-methyl-1-adamantyl)phenyl]-2-naphthalenyl] ester IUPAC Name: [1-[4-hydroxy-3-(3-methyl-1-adamantyl)phenyl]naphthalen-2-yl] hydrogen carbonate Traditional Name: carbonic acid [1-[4-hydroxy-3-(3-methyl-1-adamantyl)phenyl]-2-naphthyl] ester Formula: C28H28O4 MolecularWeight: 428.51952

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)C4=C(C=CC(=C4)C5=C(C=CC6=CC=CC=C65)OC(=O)O)O

Isomeric SMILES

CC12CC3CC(C1)CC(C3)(C2)C4=C(C=CC(=C4)C5=C(C=CC6=CC=CC=C65)OC(=O)O)O

InChI

InChI=1S/C28H28O4/c1-27-12-17-10-18(13-27)15-28(14-17,16-27)22-11-20(6-8-23(22)29)25-21-5-3-2-4-19(21)7-9-24(25)32-26(30)31/h2-9,11,17-18,29H,10,12-16H2,1H3,(H,30,31)