[7-(1-adamantyl)-6-(6-ethoxy-6-oxidanylidene-hexoxy)naphthalen-2-yl] benzoate

Systemtic Name: [7-(1-adamantyl)-6-(6-ethoxy-6-oxidanylidene-hexoxy)naphthalen-2-yl] benzoate Openeye Name: [7-(1-adamantyl)-6-(6-ethoxy-6-oxo-hexoxy)-2-naphthyl] benzoate CAS Name: benzoic acid [7-(1-adamantyl)-6-(6-ethoxy-6-oxohexoxy)-2-naphthalenyl] ester IUPAC Name: [7-(1-adamantyl)-6-(6-ethoxy-6-oxohexoxy)naphthalen-2-yl] benzoate Traditional Name: benzoic acid [7-(1-adamantyl)-6-(6-ethoxy-6-keto-hexoxy)-2-naphthyl] ester Formula: C35H40O5 MolecularWeight: 540.6891

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC1=C(C=C2C=C(C=CC2=C1)OC(=O)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)CCCCCOC1=C(C=C2C=C(C=CC2=C1)OC(=O)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C35H40O5/c1-2-38-33(36)11-7-4-8-14-39-32-20-28-12-13-30(40-34(37)27-9-5-3-6-10-27)18-29(28)19-31(32)35-21-24-15-25(22-35)17-26(16-24)23-35/h3,5-6,9-10,12-13,18-20,24-26H,2,4,7-8,11,14-17,21-23H2,1H3