1-(7-bromanyl-3-phenylmethoxy-naphthalen-2-yl)adamantane

Systemtic Name: 1-(7-bromanyl-3-phenylmethoxy-naphthalen-2-yl)adamantane Openeye Name: 1-(3-benzyloxy-7-bromo-2-naphthyl)adamantane CAS Name: 1-(7-bromo-3-phenylmethoxy-2-naphthalenyl)adamantane IUPAC Name: 1-(7-bromo-3-phenylmethoxynaphthalen-2-yl)adamantane Traditional Name: 1-(3-benzoxy-7-bromo-2-naphthyl)adamantane Formula: C27H27BrO MolecularWeight: 447.40668

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)Br)OCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)Br)OCC6=CC=CC=C6

InChI

InChI=1S/C27H27BrO/c28-24-7-6-22-13-26(29-17-18-4-2-1-3-5-18)25(12-23(22)11-24)27-14-19-8-20(15-27)10-21(9-19)16-27/h1-7,11-13,19-21H,8-10,14-17H2