5-[7-(1-adamantyl)-6-phenylmethoxycarbonyl-naphthalen-2-yl]thiophene-3-carboxylate

Systemtic Name: 5-[7-(1-adamantyl)-6-phenylmethoxycarbonyl-naphthalen-2-yl]thiophene-3-carboxylate Openeye Name: 5-[7-(1-adamantyl)-6-benzyloxycarbonyl-2-naphthyl]thiophene-3-carboxylate CAS Name: 5-[7-(1-adamantyl)-6-phenylmethoxycarbonyl-2-naphthalenyl]-3-thiophenecarboxylate IUPAC Name: 5-[7-(1-adamantyl)-6-phenylmethoxycarbonylnaphthalen-2-yl]thiophene-3-carboxylate Traditional Name: 5-[7-(1-adamantyl)-6-carbobenzoxy-2-naphthyl]-3-thenoate Formula: C33H29O4S- MolecularWeight: 521.64596

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC(=CS6)C(=O)[O-])C(=O)OCC7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC(=CS6)C(=O)[O-])C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C33H30O4S/c34-31(35)27-14-30(38-19-27)25-7-6-24-12-28(32(36)37-18-20-4-2-1-3-5-20)29(13-26(24)11-25)33-15-21-8-22(16-33)10-23(9-21)17-33/h1-7,11-14,19,21-23H,8-10,15-18H2,(H,34,35)/p-1