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

Systemtic Name: 5-[7-(1-adamantyl)-6-methoxy-naphthalen-2-yl]thiophene-3-carboxylate Openeye Name: 5-[7-(1-adamantyl)-6-methoxy-2-naphthyl]thiophene-3-carboxylate CAS Name: 5-[7-(1-adamantyl)-6-methoxy-2-naphthalenyl]-3-thiophenecarboxylate IUPAC Name: 5-[7-(1-adamantyl)-6-methoxynaphthalen-2-yl]thiophene-3-carboxylate Traditional Name: 5-[7-(1-adamantyl)-6-methoxy-2-naphthyl]-3-thenoate Formula: C26H25O3S- MolecularWeight: 417.5399

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C=CC2=C1)C3=CC(=CS3)C(=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C2C=C(C=CC2=C1)C3=CC(=CS3)C(=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H26O3S/c1-29-23-9-18-2-3-19(24-10-21(14-30-24)25(27)28)7-20(18)8-22(23)26-11-15-4-16(12-26)6-17(5-15)13-26/h2-3,7-10,14-17H,4-6,11-13H2,1H3,(H,27,28)/p-1