3-[7-(1-adamantyl)-6-phenylmethoxy-naphthalen-2-yl]thiophene-2-carboxylate

Systemtic Name: 3-[7-(1-adamantyl)-6-phenylmethoxy-naphthalen-2-yl]thiophene-2-carboxylate Openeye Name: 3-[7-(1-adamantyl)-6-benzyloxy-2-naphthyl]thiophene-2-carboxylate CAS Name: 3-[7-(1-adamantyl)-6-phenylmethoxy-2-naphthalenyl]-2-thiophenecarboxylate IUPAC Name: 3-[7-(1-adamantyl)-6-phenylmethoxynaphthalen-2-yl]thiophene-2-carboxylate Traditional Name: 3-[7-(1-adamantyl)-6-benzoxy-2-naphthyl]-2-thenoate Formula: C32H29O3S- MolecularWeight: 493.63586

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=C(SC=C6)C(=O)[O-])OCC7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=C(SC=C6)C(=O)[O-])OCC7=CC=CC=C7

InChI

InChI=1S/C32H30O3S/c33-31(34)30-27(8-9-36-30)25-7-6-24-15-29(35-19-20-4-2-1-3-5-20)28(14-26(24)13-25)32-16-21-10-22(17-32)12-23(11-21)18-32/h1-9,13-15,21-23H,10-12,16-19H2,(H,33,34)/p-1