[7-(1-adamantyl)-6-oxidanyl-naphthalen-2-yl] benzoate

Systemtic Name: [7-(1-adamantyl)-6-oxidanyl-naphthalen-2-yl] benzoate Openeye Name: [7-(1-adamantyl)-6-hydroxy-2-naphthyl] benzoate CAS Name: benzoic acid [7-(1-adamantyl)-6-hydroxy-2-naphthalenyl] ester IUPAC Name: [7-(1-adamantyl)-6-hydroxynaphthalen-2-yl] benzoate Traditional Name: benzoic acid [7-(1-adamantyl)-6-hydroxy-2-naphthyl] ester Formula: C27H26O3 MolecularWeight: 398.49354

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)OC(=O)C6=CC=CC=C6)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)OC(=O)C6=CC=CC=C6)O

InChI

InChI=1S/C27H26O3/c28-25-13-21-6-7-23(30-26(29)20-4-2-1-3-5-20)11-22(21)12-24(25)27-14-17-8-18(15-27)10-19(9-17)16-27/h1-7,11-13,17-19,28H,8-10,14-16H2