6-[2-(1-adamantyl)-4-hexoxy-phenyl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[2-(1-adamantyl)-4-hexoxy-phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[2-(1-adamantyl)-4-hexoxy-phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[2-(1-adamantyl)-4-hexoxyphenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[2-(1-adamantyl)-4-hexoxyphenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[2-(1-adamantyl)-4-hexoxy-phenyl]-2-naphthoic acid Formula: C33H38O3 MolecularWeight: 482.65302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCCCOC1=CC(=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C33H38O3/c1-2-3-4-5-12-36-29-10-11-30(27-8-6-26-17-28(32(34)35)9-7-25(26)16-27)31(18-29)33-19-22-13-23(20-33)15-24(14-22)21-33/h6-11,16-18,22-24H,2-5,12-15,19-21H2,1H3,(H,34,35)