methyl 4-[7-(1-adamantyl)-6-heptoxy-naphthalen-2-yl]benzoate

Systemtic Name: methyl 4-[7-(1-adamantyl)-6-heptoxy-naphthalen-2-yl]benzoate Openeye Name: methyl 4-[7-(1-adamantyl)-6-heptoxy-2-naphthyl]benzoate CAS Name: 4-[7-(1-adamantyl)-6-heptoxy-2-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-(1-adamantyl)-6-heptoxynaphthalen-2-yl]benzoate Traditional Name: 4-[7-(1-adamantyl)-6-heptoxy-2-naphthyl]benzoic acid methyl ester Formula: C35H42O3 MolecularWeight: 510.70618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCCCCOC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)OC)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C35H42O3/c1-3-4-5-6-7-14-38-33-20-30-13-12-29(27-8-10-28(11-9-27)34(36)37-2)18-31(30)19-32(33)35-21-24-15-25(22-35)17-26(16-24)23-35/h8-13,18-20,24-26H,3-7,14-17,21-23H2,1-2H3